N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxybenzamide

C14H16N2O2S — CID 110440268

IUPACN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2nc(C)c(C)s2)cc1
InChIInChI=1S/C14H16N2O2S/c1-9-10(2)19-13(16-9)8-15-14(17)11-4-6-12(18-3)7-5-11/h4-7H,8H2,1-3H3,(H,15,17)
InChIKeyVBYLAZQIFPESIP-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.70
Rot. Bonds4

About N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxybenzamide

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxybenzamide (PubChem CID 110440268) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxybenzamide
PubChem CID110440268
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2nc(C)c(C)s2)cc1
InChIInChI=1S/C14H16N2O2S/c1-9-10(2)19-13(16-9)8-15-14(17)11-4-6-12(18-3)7-5-11/h4-7H,8H2,1-3H3,(H,15,17)
InChIKeyVBYLAZQIFPESIP-UHFFFAOYSA-N
XLogP2.70
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,5-dimethoxybenzamide
CID 110444729
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]benzamide
CID 58883688
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,4-dimethylbenzamide
CID 110739109
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2-oxoethyl]benzamide
CID 110443135
3,6-dichloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxybenzamide
CID 110443047
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110446475
2-ethyl-N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 49328580
phenyl N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739115
2-[[(4-hydroxybenzoyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63629996
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 91956498
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 110444788
2-[[(6-methoxypyridine-3-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63629166

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxybenzamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxybenzamide (CID 110440268) is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxybenzamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxybenzamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCc2nc(C)c(C)s2)cc1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxybenzamide?
The InChIKey is VBYLAZQIFPESIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-9-10(2)19-13(16-9)8-15-14(17)11-4-6-12(18-3)7-5-11/h4-7H,8H2,1-3H3,(H,15,17).
What are the key properties of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxybenzamide?
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxybenzamide has a molecular weight of 276.36 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 110440268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).