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

C15H19N3OS — CID 25391715

IUPAC3-methyl-5-(methylamino)-N-(4-propan-2-ylphenyl)-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C15H19N3OS/c1-9(2)11-5-7-12(8-6-11)17-14(19)13-10(3)18-20-15(13)16-4/h5-9,16H,1-4H3,(H,17,19)
InChIKeyCBVJNKKXSRAZFQ-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.87
Rot. Bonds4

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

3-methyl-5-(methylamino)-N-(4-propan-2-ylphenyl)-1,2-thiazole-4-carboxamide (PubChem CID 25391715) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-methyl-5-(methylamino)-N-(4-propan-2-ylphenyl)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-5-(methylamino)-N-(4-propan-2-ylphenyl)-1,2-thiazole-4-carboxamide
PubChem CID25391715
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name3-methyl-5-(methylamino)-N-(4-propan-2-ylphenyl)-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C15H19N3OS/c1-9(2)11-5-7-12(8-6-11)17-14(19)13-10(3)18-20-15(13)16-4/h5-9,16H,1-4H3,(H,17,19)
InChIKeyCBVJNKKXSRAZFQ-UHFFFAOYSA-N
XLogP3.87
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-(4-propan-2-ylanilino)-1,2-thiazole-4-carboxylic acid
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2,4-dimethyl-6-oxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide
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1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide
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3-methyl-5-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-4-carboxamide
CID 35934960
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5-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
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4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
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N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 111486696
2,3-dimethyl-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide
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2-amino-6-methyl-N-(4-propan-2-ylphenyl)benzamide
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3-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(methylamino)-N-(4-propan-2-ylphenyl)-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-methyl-5-(methylamino)-N-(4-propan-2-ylphenyl)-1,2-thiazole-4-carboxamide (CID 25391715) is 3-methyl-5-(methylamino)-N-(4-propan-2-ylphenyl)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-methyl-5-(methylamino)-N-(4-propan-2-ylphenyl)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-methyl-5-(methylamino)-N-(4-propan-2-ylphenyl)-1,2-thiazole-4-carboxamide is CNc1snc(C)c1C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 3-methyl-5-(methylamino)-N-(4-propan-2-ylphenyl)-1,2-thiazole-4-carboxamide?
The InChIKey is CBVJNKKXSRAZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-9(2)11-5-7-12(8-6-11)17-14(19)13-10(3)18-20-15(13)16-4/h5-9,16H,1-4H3,(H,17,19).
What are the key properties of 3-methyl-5-(methylamino)-N-(4-propan-2-ylphenyl)-1,2-thiazole-4-carboxamide?
3-methyl-5-(methylamino)-N-(4-propan-2-ylphenyl)-1,2-thiazole-4-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(methylamino)-N-(4-propan-2-ylphenyl)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 25391715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).