2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-methylacetamide

C7H7ClN4OS — CID 106595138

IUPAC2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-methylacetamide
SMILESCNC(=O)CNc1nc(Cl)c(C#N)s1
InChIInChI=1S/C7H7ClN4OS/c1-10-5(13)3-11-7-12-6(8)4(2-9)14-7/h3H2,1H3,(H,10,13)(H,11,12)
InChIKeyLHAPMUTUQNVGBA-UHFFFAOYSA-N
MW230.68 g/mol
LogP0.83
Rot. Bonds3

About 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-methylacetamide

2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-methylacetamide (PubChem CID 106595138) has the molecular formula C7H7ClN4OS and a molecular weight of 230.68 g/mol. Its IUPAC name is 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-methylacetamide
PubChem CID106595138
Molecular FormulaC7H7ClN4OS
Molecular Weight230.68 g/mol
Exact Mass230.00
IUPAC Name2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-methylacetamide
SMILESCNC(=O)CNc1nc(Cl)c(C#N)s1
InChIInChI=1S/C7H7ClN4OS/c1-10-5(13)3-11-7-12-6(8)4(2-9)14-7/h3H2,1H3,(H,10,13)(H,11,12)
InChIKeyLHAPMUTUQNVGBA-UHFFFAOYSA-N
XLogP0.83
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.68
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-methylpropanamide
CID 106595444
2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-(2-methylpropyl)acetamide
CID 106595759
ethyl 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]acetate
CID 3851603
4-chloro-2-(ethylamino)-1,3-thiazole-5-carbonitrile
CID 106595002
4-chloro-2-(2-cyanopropylamino)-1,3-thiazole-5-carbonitrile
CID 130662565
4-chloro-2-(3-methylbut-2-enylamino)-1,3-thiazole-5-carbonitrile
CID 106191529
3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-(2-methoxyethyl)propanamide
CID 106595779
4-chloro-2-[[2-methyl-3-(methylamino)propyl]amino]-1,3-thiazole-5-carbonitrile
CID 106596127
tert-butyl N-[3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]propyl]carbamate
CID 106595892
4-chloro-2-[(2-hydroxy-2-methylpentyl)amino]-1,3-thiazole-5-carbonitrile
CID 106294542
4-chloro-2-(2-methylbutan-2-ylamino)-1,3-thiazole-5-carbonitrile
CID 106595806
2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-ethylethanesulfonamide
CID 106338129

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-methylacetamide?
The IUPAC name of 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-methylacetamide (CID 106595138) is 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-methylacetamide.
What is the SMILES notation for 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-methylacetamide?
The canonical SMILES for 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-methylacetamide is CNC(=O)CNc1nc(Cl)c(C#N)s1.
What is the InChIKey of 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-methylacetamide?
The InChIKey is LHAPMUTUQNVGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4OS/c1-10-5(13)3-11-7-12-6(8)4(2-9)14-7/h3H2,1H3,(H,10,13)(H,11,12).
What are the key properties of 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-methylacetamide?
2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-methylacetamide has a molecular weight of 230.68 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-methylacetamide is sourced from PubChem (CID 106595138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).