2-anilino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide

C17H15N3OS — CID 612583

IUPAC2-anilino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Nc2ccccc2)sc1C(=O)Nc1ccccc1
InChIInChI=1S/C17H15N3OS/c1-12-15(16(21)19-13-8-4-2-5-9-13)22-17(18-12)20-14-10-6-3-7-11-14/h2-11H,1H3,(H,18,20)(H,19,21)
InChIKeyDXWHAKXQQGVSSG-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.45
Rot. Bonds4

About 2-anilino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide

2-anilino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 612583) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-anilino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-anilino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
PubChem CID612583
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name2-anilino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Nc2ccccc2)sc1C(=O)Nc1ccccc1
InChIInChI=1S/C17H15N3OS/c1-12-15(16(21)19-13-8-4-2-5-9-13)22-17(18-12)20-14-10-6-3-7-11-14/h2-11H,1H3,(H,18,20)(H,19,21)
InChIKeyDXWHAKXQQGVSSG-UHFFFAOYSA-N
XLogP4.45
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(Benzoylamino)-4-methyl-n-(2,4,6-trimethylphenyl)-5-thiazolecarboxamide
CID 21911517
2-acetamido-4-methyl-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 21911563
2-amino-4-methyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
CID 939967
(2-Anilino-4-methyl-1,3-thiazol-5-yl)-phenylmethanone
CID 2814150
2-(Cyclopropanecarbonyl-amino)-4-methyl-thiazole-5-carboxylic acid o-tolylamide
CID 857264
1-[4-Methyl-2-(3-toluidino)-1,3-thiazol-5-yl]-1-ethanone
CID 1485160
Amicarthiazol
CID 735558
4-Amino-2-(Phenylamino)-1,3-Thiazole-5-Carboxamide
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CID 2440658

Frequently Asked Questions

What is the IUPAC name of 2-anilino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-anilino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide (CID 612583) is 2-anilino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-anilino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-anilino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(Nc2ccccc2)sc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-anilino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is DXWHAKXQQGVSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c1-12-15(16(21)19-13-8-4-2-5-9-13)22-17(18-12)20-14-10-6-3-7-11-14/h2-11H,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-anilino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
2-anilino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 309.39 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 612583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).