2-methyl-N-[(2-methylsulfanylphenyl)methyl]-1,3-thiazole-4-carboxamide

C13H14N2OS2 — CID 110476240

IUPAC2-methyl-N-[(2-methylsulfanylphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCSc1ccccc1CNC(=O)c1csc(C)n1
InChIInChI=1S/C13H14N2OS2/c1-9-15-11(8-18-9)13(16)14-7-10-5-3-4-6-12(10)17-2/h3-6,8H,7H2,1-2H3,(H,14,16)
InChIKeyIHALXAGXDDEUCY-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.10
Rot. Bonds4

About 2-methyl-N-[(2-methylsulfanylphenyl)methyl]-1,3-thiazole-4-carboxamide

2-methyl-N-[(2-methylsulfanylphenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 110476240) has the molecular formula C13H14N2OS2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-methyl-N-[(2-methylsulfanylphenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(2-methylsulfanylphenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID110476240
Molecular FormulaC13H14N2OS2
Molecular Weight278.40 g/mol
Exact Mass278.05
IUPAC Name2-methyl-N-[(2-methylsulfanylphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCSc1ccccc1CNC(=O)c1csc(C)n1
InChIInChI=1S/C13H14N2OS2/c1-9-15-11(8-18-9)13(16)14-7-10-5-3-4-6-12(10)17-2/h3-6,8H,7H2,1-2H3,(H,14,16)
InChIKeyIHALXAGXDDEUCY-UHFFFAOYSA-N
XLogP3.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443309
2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]-N-[(2-methylsulfanylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3456165
2-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-N-[(2-methylsulfanylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 5004948
2-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 110474082
N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443932
N-[(2-methylphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 9488971
methyl N-[(2-methylsulfanylphenyl)methyl]carbamate
CID 110477809
N-(2H-indazol-3-ylmethyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 110474112
2-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid
CID 65199403
2-(2-methylsulfanylphenyl)-N-propylacetamide
CID 110485576
N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443698
N-[(2-methylphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31251684

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methylsulfanylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-N-[(2-methylsulfanylphenyl)methyl]-1,3-thiazole-4-carboxamide (CID 110476240) is 2-methyl-N-[(2-methylsulfanylphenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[(2-methylsulfanylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-[(2-methylsulfanylphenyl)methyl]-1,3-thiazole-4-carboxamide is CSc1ccccc1CNC(=O)c1csc(C)n1.
What is the InChIKey of 2-methyl-N-[(2-methylsulfanylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is IHALXAGXDDEUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS2/c1-9-15-11(8-18-9)13(16)14-7-10-5-3-4-6-12(10)17-2/h3-6,8H,7H2,1-2H3,(H,14,16).
What are the key properties of 2-methyl-N-[(2-methylsulfanylphenyl)methyl]-1,3-thiazole-4-carboxamide?
2-methyl-N-[(2-methylsulfanylphenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methylsulfanylphenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110476240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).