2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide

C14H16N2OS — CID 116891994

IUPAC2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(C(C)C)cc1-c1nc(C(N)=O)cs1
InChIInChI=1S/C14H16N2OS/c1-8(2)10-5-4-9(3)11(6-10)14-16-12(7-18-14)13(15)17/h4-8H,1-3H3,(H2,15,17)
InChIKeyGJUSLZBHBHPXJV-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.34
Rot. Bonds3

About 2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide

2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 116891994) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID116891994
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(C(C)C)cc1-c1nc(C(N)=O)cs1
InChIInChI=1S/C14H16N2OS/c1-8(2)10-5-4-9(3)11(6-10)14-16-12(7-18-14)13(15)17/h4-8H,1-3H3,(H2,15,17)
InChIKeyGJUSLZBHBHPXJV-UHFFFAOYSA-N
XLogP3.34
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 116891955
4-bromo-2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole
CID 116892221
2-[2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 82484829
4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 82495942
4,5-dimethyl-2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole
CID 116887657
2-[5-(4-carbamoyl-1,3-thiazol-2-yl)-N-(carboxymethyl)-2-methylanilino]acetic acid
CID 58135286
2-(5-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 116891997
2-(2,5-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 116891977
2-(5-ethynyl-2-methylphenyl)-1,3-thiazole-4-carboxamide;3-hydroxy-1-methylpyrrolidin-2-one
CID 145143428
2-(2-bromophenyl)-1,3-thiazole-4-carboxamide
CID 116892022
1-[4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol
CID 116867576
2-(bromomethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole
CID 116970332

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide (CID 116891994) is 2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide is Cc1ccc(C(C)C)cc1-c1nc(C(N)=O)cs1.
What is the InChIKey of 2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is GJUSLZBHBHPXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-8(2)10-5-4-9(3)11(6-10)14-16-12(7-18-14)13(15)17/h4-8H,1-3H3,(H2,15,17).
What are the key properties of 2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide?
2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 260.36 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 116891994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).