2-tert-butyl-4-phenyl-1,3-thiazole-5-carboxamide

C14H16N2OS — CID 170588418

IUPAC2-tert-butyl-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1nc(-c2ccccc2)c(C(N)=O)s1
InChIInChI=1S/C14H16N2OS/c1-14(2,3)13-16-10(11(18-13)12(15)17)9-7-5-4-6-8-9/h4-8H,1-3H3,(H2,15,17)
InChIKeyJLXAGEHVABBSSJ-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.21
Rot. Bonds2

About 2-tert-butyl-4-phenyl-1,3-thiazole-5-carboxamide

2-tert-butyl-4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 170588418) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-tert-butyl-4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-4-phenyl-1,3-thiazole-5-carboxamide
PubChem CID170588418
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name2-tert-butyl-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1nc(-c2ccccc2)c(C(N)=O)s1
InChIInChI=1S/C14H16N2OS/c1-14(2,3)13-16-10(11(18-13)12(15)17)9-7-5-4-6-8-9/h4-8H,1-3H3,(H2,15,17)
InChIKeyJLXAGEHVABBSSJ-UHFFFAOYSA-N
XLogP3.21
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 47120010
2-tert-butyl-4-(3-carboxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 69476873
2-tert-butyl-4-naphthalen-2-yl-1,3-thiazole-5-carboxylic acid
CID 69475453
2-tert-butyl-5-methyl-4-phenyl-1,3-thiazole
CID 55645362
methyl 2-tert-butyl-4-(3-chlorophenyl)-1,3-thiazole-5-carboxylate
CID 121364830
1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)ethanone
CID 59263615
2-tert-butyl-4-phenyl-5-propan-2-yl-1,3-thiazole;ethane
CID 170587640
2-methyl-4-(4-phenylphenyl)-1,3-thiazole-5-carboxylic acid
CID 95495373
2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 66856088
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 68909471
N-[(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine
CID 81178207
2-iodo-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 58016057

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-4-phenyl-1,3-thiazole-5-carboxamide (CID 170588418) is 2-tert-butyl-4-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-4-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-4-phenyl-1,3-thiazole-5-carboxamide is CC(C)(C)c1nc(-c2ccccc2)c(C(N)=O)s1.
What is the InChIKey of 2-tert-butyl-4-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is JLXAGEHVABBSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-14(2,3)13-16-10(11(18-13)12(15)17)9-7-5-4-6-8-9/h4-8H,1-3H3,(H2,15,17).
What are the key properties of 2-tert-butyl-4-phenyl-1,3-thiazole-5-carboxamide?
2-tert-butyl-4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 260.36 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 170588418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).