N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide

C14H16N2O2S — CID 110465620

IUPACN-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2nc(C)sc2C)cc1
InChIInChI=1S/C14H16N2O2S/c1-9-13(16-10(2)19-9)14(17)15-8-11-4-6-12(18-3)7-5-11/h4-7H,8H2,1-3H3,(H,15,17)
InChIKeyCABHRLKOJXMIMZ-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.70
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide

N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide (PubChem CID 110465620) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
PubChem CID110465620
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2nc(C)sc2C)cc1
InChIInChI=1S/C14H16N2O2S/c1-9-13(16-10(2)19-9)14(17)15-8-11-4-6-12(18-3)7-5-11/h4-7H,8H2,1-3H3,(H,15,17)
InChIKeyCABHRLKOJXMIMZ-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-benzyl-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465518
N-[(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 7959658
N-[(4-methoxyphenyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110691868
N-[(4-methoxyphenyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 7576735
2-bromo-N-[(5-methoxy-3-pyridinyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 171677233
methyl 2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115423142
5-ethyl-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 47114692
N-[(4-methoxyphenyl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 763193
N-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465627
2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 885776
2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 9400718
4-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-2,4-dicarboxamide
CID 53158291

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide (CID 110465620) is N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide is COc1ccc(CNC(=O)c2nc(C)sc2C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide?
The InChIKey is CABHRLKOJXMIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-9-13(16-10(2)19-9)14(17)15-8-11-4-6-12(18-3)7-5-11/h4-7H,8H2,1-3H3,(H,15,17).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide?
N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide 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-methoxyphenyl)methyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110465620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).