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Chemical ID: 6007517
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
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Experimental Annotations
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Descriptor Annotations
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