Chemical ID: 6000956

CCCN(CC(=O)Nc1nc(cs1)C)C(=O)CC(C)C
Chemical ID:
6000956
Name [?]:
3-methyl-N-[(4-methylthiazol-2-yl)carbamoylmethyl]-N-propyl-butanamide
SMILES [?]:
CCCN(CC(=O)Nc1nc(cs1)C)C(=O)CC(C)C
InChi [?]:
InChI=1/C14H23N3O2S/c1-5-6-17(13(19)7-10(2)3)8-12(18)16-14-15-11(4)9-20-14/h9-10H,5-8H2,1-4H3,(H,15,16,18)
InChi Info:
AuxInfo=1/1/N:1,19,20,14,2,3,17,5,12,18,11,6,15,9,10,8,4,7,16,13/E:(2,3)/rA:20nCCCNCCONCNCCSCCOCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;s9s12;s11;s4;d15;s15;s17;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H23N3O2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.40043
Area:519.224
Solvation:-3.58017
Coulombic:-41.2447
Bond Count [?]
All:20
Single:16
Double:4
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:297.417
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.82
LogP (Chemaxon):2.14

Name Annotations

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Descriptor Annotations

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