N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-2-methylpropanamide

C15H14ClN3OS — CID 60779121

IUPACN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-2-methylpropanamide
SMILESCC(C)(C#N)C(=O)Nc1ncc(Cc2ccccc2Cl)s1
InChIInChI=1S/C15H14ClN3OS/c1-15(2,9-17)13(20)19-14-18-8-11(21-14)7-10-5-3-4-6-12(10)16/h3-6,8H,7H2,1-2H3,(H,18,19,20)
InChIKeyNRGRLFCVKLLDHI-UHFFFAOYSA-N
MW319.82 g/mol
LogP3.88
Rot. Bonds4

About N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-2-methylpropanamide

N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-2-methylpropanamide (PubChem CID 60779121) has the molecular formula C15H14ClN3OS and a molecular weight of 319.82 g/mol. Its IUPAC name is N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-2-methylpropanamide
PubChem CID60779121
Molecular FormulaC15H14ClN3OS
Molecular Weight319.82 g/mol
Exact Mass319.05
IUPAC NameN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-2-methylpropanamide
SMILESCC(C)(C#N)C(=O)Nc1ncc(Cc2ccccc2Cl)s1
InChIInChI=1S/C15H14ClN3OS/c1-15(2,9-17)13(20)19-14-18-8-11(21-14)7-10-5-3-4-6-12(10)16/h3-6,8H,7H2,1-2H3,(H,18,19,20)
InChIKeyNRGRLFCVKLLDHI-UHFFFAOYSA-N
XLogP3.88
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.82
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyanoacetamide
CID 2068778
2-chloro-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 4969221
3-amino-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]butanamide
CID 119698331
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methylsulfanylpropanamide
CID 35955297
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 46511635
2-amino-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide
CID 120984436
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(diethylamino)butanamide
CID 58033042
3-acetamido-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 36782312
(E)-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide
CID 726241
2,2,2-trifluoroethyl N-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 78903259
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-(ethoxymethyl)furan-2-carboxamide
CID 18830695
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 727735

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-2-methylpropanamide?
The IUPAC name of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-2-methylpropanamide (CID 60779121) is N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-2-methylpropanamide.
What is the SMILES notation for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-2-methylpropanamide?
The canonical SMILES for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-2-methylpropanamide is CC(C)(C#N)C(=O)Nc1ncc(Cc2ccccc2Cl)s1.
What is the InChIKey of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-2-methylpropanamide?
The InChIKey is NRGRLFCVKLLDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3OS/c1-15(2,9-17)13(20)19-14-18-8-11(21-14)7-10-5-3-4-6-12(10)16/h3-6,8H,7H2,1-2H3,(H,18,19,20).
What are the key properties of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-2-methylpropanamide?
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-2-methylpropanamide has a molecular weight of 319.82 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-2-methylpropanamide is sourced from PubChem (CID 60779121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).