Chemical ID: 6007517

Cc1cnc(s1)NC(=O)CN(CCC(C)C)C(=O)C2CC2
Chemical ID:
6007517
Name [?]:
N-isopentyl-N-[(5-methylthiazol-2-yl)carbamoylmethyl]cyclopropanecarboxamide
SMILES [?]:
Cc1cnc(s1)NC(=O)CN(CCC(C)C)C(=O)C2CC2
InChi [?]:
InChI=1/C15H23N3O2S/c1-10(2)6-7-18(14(20)12-4-5-12)9-13(19)17-15-16-8-11(3)21-15/h8,10,12H,4-7,9H2,1-3H3,(H,16,17,19)
InChi Info:
AuxInfo=1/1/N:15,16,1,20,21,13,12,3,10,14,2,19,8,17,5,4,7,11,9,18,6/E:(1,2)(4,5)/rA:21nCCCNCSNCOCNCCCCCCOCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s14;s11;d17;s17;s19;s19s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H23N3O2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.20891
Area:538.994
Solvation:-4.26595
Coulombic:-40.4539
Bond Count [?]
All:22
Single:18
Double:4
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:309.428
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.08
LogP (Chemaxon):2.02

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue