N-[(S)-(2-chlorophenyl)-cyanomethyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide

C15H14ClN3O2S — CID 97245984

IUPACN-[(S)-(2-chlorophenyl)-cyanomethyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOCc1nc(C)c(C(=O)N[C@H](C#N)c2ccccc2Cl)s1
InChIInChI=1S/C15H14ClN3O2S/c1-9-14(22-13(18-9)8-21-2)15(20)19-12(7-17)10-5-3-4-6-11(10)16/h3-6,12H,8H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyVODFJIROUIAHSF-GFCCVEGCSA-N
MW335.82 g/mol
LogP3.25
Rot. Bonds5

About N-[(S)-(2-chlorophenyl)-cyanomethyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide

N-[(S)-(2-chlorophenyl)-cyanomethyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 97245984) has the molecular formula C15H14ClN3O2S and a molecular weight of 335.82 g/mol. Its IUPAC name is N-[(S)-(2-chlorophenyl)-cyanomethyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(S)-(2-chlorophenyl)-cyanomethyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID97245984
Molecular FormulaC15H14ClN3O2S
Molecular Weight335.82 g/mol
Exact Mass335.05
IUPAC NameN-[(S)-(2-chlorophenyl)-cyanomethyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOCc1nc(C)c(C(=O)N[C@H](C#N)c2ccccc2Cl)s1
InChIInChI=1S/C15H14ClN3O2S/c1-9-14(22-13(18-9)8-21-2)15(20)19-12(7-17)10-5-3-4-6-11(10)16/h3-6,12H,8H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyVODFJIROUIAHSF-GFCCVEGCSA-N
XLogP3.25
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.82
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methoxymethyl)-4-methyl-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110374805
3-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]butanoic acid
CID 120522680
N-[(R)-cyano-(2,3-dichlorophenyl)methyl]-2-(methoxymethyl)benzamide
CID 124593537
2-(methoxymethyl)-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 110374872
N-[(4-chlorophenyl)methyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 110374810
2-(methoxymethyl)-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110374817
2-(4-bromophenyl)-2-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]acetic acid
CID 120518141
N-[(R)-(2-chlorophenyl)-cyanomethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 97219891
N-[(R)-cyano-(2-methoxyphenyl)methyl]-3-methoxythiophene-2-carboxamide
CID 96549376
N-[(R)-cyano-(2-methylphenyl)methyl]-3-methoxythiophene-2-carboxamide
CID 96549404
2-[(4-chlorophenoxy)methyl]-4-methyl-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 51962865
2-(methoxymethyl)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 110374885

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(2-chlorophenyl)-cyanomethyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(S)-(2-chlorophenyl)-cyanomethyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 97245984) is N-[(S)-(2-chlorophenyl)-cyanomethyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(S)-(2-chlorophenyl)-cyanomethyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(S)-(2-chlorophenyl)-cyanomethyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide is COCc1nc(C)c(C(=O)N[C@H](C#N)c2ccccc2Cl)s1.
What is the InChIKey of N-[(S)-(2-chlorophenyl)-cyanomethyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is VODFJIROUIAHSF-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H14ClN3O2S/c1-9-14(22-13(18-9)8-21-2)15(20)19-12(7-17)10-5-3-4-6-11(10)16/h3-6,12H,8H2,1-2H3,(H,19,20)/t12-/m1/s1.
What are the key properties of N-[(S)-(2-chlorophenyl)-cyanomethyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-[(S)-(2-chlorophenyl)-cyanomethyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 335.82 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(2-chlorophenyl)-cyanomethyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 97245984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).