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

C15H18N2OS — CID 110728056

IUPAC4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2csc(C(C)C)n2)cc1
InChIInChI=1S/C15H18N2OS/c1-10(2)15-17-13(9-19-15)8-16-14(18)12-6-4-11(3)5-7-12/h4-7,9-10H,8H2,1-3H3,(H,16,18)
InChIKeyLBPJIJZXMKYWAL-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.50
Rot. Bonds4

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

4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide (PubChem CID 110728056) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
PubChem CID110728056
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2csc(C(C)C)n2)cc1
InChIInChI=1S/C15H18N2OS/c1-10(2)15-17-13(9-19-15)8-16-14(18)12-6-4-11(3)5-7-12/h4-7,9-10H,8H2,1-3H3,(H,16,18)
InChIKeyLBPJIJZXMKYWAL-UHFFFAOYSA-N
XLogP3.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,4-N-bis[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzene-1,4-dicarboxamide
CID 56561374
4-[(4-methylphenyl)sulfamoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56558023
4-propan-2-ylsulfanyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56557906
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethylsulfanyl)benzamide
CID 56558275
4-butoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56557994
4-cyclopentyloxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56557686
4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56558457
3,5-dimethoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 110728064
4-(azepan-1-ylsulfonyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56558410
4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56558119
3-cyano-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 110728060
methyl N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamate
CID 110728086

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide?
The IUPAC name of 4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide (CID 110728056) is 4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide is Cc1ccc(C(=O)NCc2csc(C(C)C)n2)cc1.
What is the InChIKey of 4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide?
The InChIKey is LBPJIJZXMKYWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10(2)15-17-13(9-19-15)8-16-14(18)12-6-4-11(3)5-7-12/h4-7,9-10H,8H2,1-3H3,(H,16,18).
What are the key properties of 4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide?
4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide has a molecular weight of 274.39 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide is sourced from PubChem (CID 110728056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).