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

C13H14N2OS — CID 110738921

IUPAC4-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2ncc(C)s2)cc1
InChIInChI=1S/C13H14N2OS/c1-9-3-5-11(6-4-9)13(16)15-8-12-14-7-10(2)17-12/h3-7H,8H2,1-2H3,(H,15,16)
InChIKeyHZJXCSHIWYWKEP-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.69
Rot. Bonds3

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

4-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide (PubChem CID 110738921) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 4-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide
PubChem CID110738921
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name4-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2ncc(C)s2)cc1
InChIInChI=1S/C13H14N2OS/c1-9-3-5-11(6-4-9)13(16)15-8-12-14-7-10(2)17-12/h3-7H,8H2,1-2H3,(H,15,16)
InChIKeyHZJXCSHIWYWKEP-UHFFFAOYSA-N
XLogP2.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-hydroxy-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 103873486
1-N-methyl-3-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide
CID 68670537
6-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 106704146
3-(4-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 110738979
(5-methyl-1,3-thiazol-2-yl)methylurea
CID 103708250
N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 110746418
3-amino-5-bromo-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 114126786
N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrazine-2-carboxamide
CID 110746419
N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110739296
5-bromo-N-[(5-methyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide
CID 110746432
N-[2-[[N'-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]carbamimidoyl]amino]ethyl]-4-(trifluoromethyl)benzamide;hydroiodide
CID 111522978
2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide
CID 82546789

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The IUPAC name of 4-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide (CID 110738921) is 4-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 4-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The canonical SMILES for 4-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide is Cc1ccc(C(=O)NCc2ncc(C)s2)cc1.
What is the InChIKey of 4-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The InChIKey is HZJXCSHIWYWKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-9-3-5-11(6-4-9)13(16)15-8-12-14-7-10(2)17-12/h3-7H,8H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide?
4-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide has a molecular weight of 246.34 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 110738921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).