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

C14H16N2OS — CID 110858119

IUPAC5-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1scnc1C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C14H16N2OS/c1-9(2)11-4-6-12(7-5-11)16-14(17)13-10(3)18-8-15-13/h4-9H,1-3H3,(H,16,17)
InChIKeyZPENSFDTSLTXRX-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.83
Rot. Bonds3

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

5-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 110858119) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 5-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID110858119
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name5-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1scnc1C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C14H16N2OS/c1-9(2)11-4-6-12(7-5-11)16-14(17)13-10(3)18-8-15-13/h4-9H,1-3H3,(H,16,17)
InChIKeyZPENSFDTSLTXRX-UHFFFAOYSA-N
XLogP3.83
TPSA41.99 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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 110858632
5-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 110847845
N-(4-propan-2-ylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84554602
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-5-methyl-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 166326972
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide
CID 67992142
N-(4-propan-2-ylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 20963618
3-methoxy-6,7-dimethyl-N-(4-propan-2-ylphenyl)quinoxaline-2-carboxamide
CID 50779903
2-methyl-N-(4-propan-2-ylphenyl)-1,3-oxazole-5-carboxamide
CID 110702258
2,3-dimethyl-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide
CID 110858169
3-methyl-5-(methylamino)-N-(4-propan-2-ylphenyl)-1,2-thiazole-4-carboxamide
CID 25391715
5-amino-2-methyl-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 61040068

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide (CID 110858119) is 5-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide is Cc1scnc1C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 5-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZPENSFDTSLTXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-9(2)11-4-6-12(7-5-11)16-14(17)13-10(3)18-8-15-13/h4-9H,1-3H3,(H,16,17).
What are the key properties of 5-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide?
5-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 260.36 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110858119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).