N-(3-chloro-4-cyano-1,2-thiazol-5-yl)-2,2-dimethylpropanamide

C9H10ClN3OS — CID 19433807

IUPACN-(3-chloro-4-cyano-1,2-thiazol-5-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1snc(Cl)c1C#N
InChIInChI=1S/C9H10ClN3OS/c1-9(2,3)8(14)12-7-5(4-11)6(10)13-15-7/h1-3H3,(H,12,14)
InChIKeyRTHPKPGUUJPEJW-UHFFFAOYSA-N
MW243.72 g/mol
LogP2.65
Rot. Bonds1

About N-(3-chloro-4-cyano-1,2-thiazol-5-yl)-2,2-dimethylpropanamide

N-(3-chloro-4-cyano-1,2-thiazol-5-yl)-2,2-dimethylpropanamide (PubChem CID 19433807) has the molecular formula C9H10ClN3OS and a molecular weight of 243.72 g/mol. Its IUPAC name is N-(3-chloro-4-cyano-1,2-thiazol-5-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyano-1,2-thiazol-5-yl)-2,2-dimethylpropanamide
PubChem CID19433807
Molecular FormulaC9H10ClN3OS
Molecular Weight243.72 g/mol
Exact Mass243.02
IUPAC NameN-(3-chloro-4-cyano-1,2-thiazol-5-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1snc(Cl)c1C#N
InChIInChI=1S/C9H10ClN3OS/c1-9(2,3)8(14)12-7-5(4-11)6(10)13-15-7/h1-3H3,(H,12,14)
InChIKeyRTHPKPGUUJPEJW-UHFFFAOYSA-N
XLogP2.65
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.72
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-[[2-(dimethylamino)-2-methylpropyl]amino]-1,2-thiazole-4-carbonitrile
CID 133425145
3-chloro-5-[[(3S)-3-hydroxybutyl]amino]-1,2-thiazole-4-carbonitrile
CID 130646571
3-chloro-5-(2-methoxyethylamino)-1,2-thiazole-4-carbonitrile
CID 47214811
3-chloro-5-(3-hydroxybutan-2-ylamino)-1,2-thiazole-4-carbonitrile
CID 130628670
3-chloro-5-[[(2S)-1-hydroxypropan-2-yl]amino]-1,2-thiazole-4-carbonitrile
CID 130687983
3-chloro-5-[(3-hydroxy-3-phenylbutyl)amino]-1,2-thiazole-4-carbonitrile
CID 133495653
3-chloro-5-[2-(diethylamino)ethylamino]-1,2-thiazole-4-carbonitrile
CID 133381321
2-[(3-chloro-4-cyano-1,2-thiazol-5-yl)amino]-N-(cyclopropylmethyl)acetamide
CID 133441968
3-chloro-4-cyano-1,2-thiazole-5-carboxylic acid
CID 11446805
3-chloro-5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1,2-thiazole-4-carbonitrile
CID 133337969
3-chloro-5-(cyclopropylmethylamino)-1,2-thiazole-4-carbonitrile
CID 131159941
3-chloro-4-cyano-N-(2-cyano-3-methylbutan-2-yl)-1,2-thiazole-5-carboxamide
CID 18546086

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyano-1,2-thiazol-5-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(3-chloro-4-cyano-1,2-thiazol-5-yl)-2,2-dimethylpropanamide (CID 19433807) is N-(3-chloro-4-cyano-1,2-thiazol-5-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3-chloro-4-cyano-1,2-thiazol-5-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(3-chloro-4-cyano-1,2-thiazol-5-yl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1snc(Cl)c1C#N.
What is the InChIKey of N-(3-chloro-4-cyano-1,2-thiazol-5-yl)-2,2-dimethylpropanamide?
The InChIKey is RTHPKPGUUJPEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3OS/c1-9(2,3)8(14)12-7-5(4-11)6(10)13-15-7/h1-3H3,(H,12,14).
What are the key properties of N-(3-chloro-4-cyano-1,2-thiazol-5-yl)-2,2-dimethylpropanamide?
N-(3-chloro-4-cyano-1,2-thiazol-5-yl)-2,2-dimethylpropanamide has a molecular weight of 243.72 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyano-1,2-thiazol-5-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 19433807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).