N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide

C15H18N2OS — CID 110471823

IUPACN-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)c1ccc(CNC(=O)c2cscn2)cc1
InChIInChI=1S/C15H18N2OS/c1-15(2,3)12-6-4-11(5-7-12)8-16-14(18)13-9-19-10-17-13/h4-7,9-10H,8H2,1-3H3,(H,16,18)
InChIKeyROVYXEHLDOUDOJ-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.37
Rot. Bonds3

About N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide

N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 110471823) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID110471823
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)c1ccc(CNC(=O)c2cscn2)cc1
InChIInChI=1S/C15H18N2OS/c1-15(2,3)12-6-4-11(5-7-12)8-16-14(18)13-9-19-10-17-13/h4-7,9-10H,8H2,1-3H3,(H,16,18)
InChIKeyROVYXEHLDOUDOJ-UHFFFAOYSA-N
XLogP3.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide 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

N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide
CID 111422585
N-[(4-carbamothioylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 63022697
N-(2-methyl-2-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 62045664
4-tert-butyl-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115577854
2-(2-aminoethyl)-N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 120620358
N-[(6-cyclopropyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 134160703
N-[(5-bromothiophen-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 130948300
2-(2-aminoethyl)-N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120620357
N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 63038083
N-[(3-carbamoylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 63049431
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide
CID 110436445
4-tert-butyl-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 20627948

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide (CID 110471823) is N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide is CC(C)(C)c1ccc(CNC(=O)c2cscn2)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ROVYXEHLDOUDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-15(2,3)12-6-4-11(5-7-12)8-16-14(18)13-9-19-10-17-13/h4-7,9-10H,8H2,1-3H3,(H,16,18).
What are the key properties of N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide?
N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110471823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).