2-(4-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide

C19H19N3OS — CID 3978833

IUPAC2-(4-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(Nc2nc(C(=O)NCCc3ccccc3)cs2)cc1
InChIInChI=1S/C19H19N3OS/c1-14-7-9-16(10-8-14)21-19-22-17(13-24-19)18(23)20-12-11-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyQCRQFBKWENHFFW-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.17
Rot. Bonds6

About 2-(4-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide

2-(4-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 3978833) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-(4-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
PubChem CID3978833
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name2-(4-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(Nc2nc(C(=O)NCCc3ccccc3)cs2)cc1
InChIInChI=1S/C19H19N3OS/c1-14-7-9-16(10-8-14)21-19-22-17(13-24-19)18(23)20-12-11-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyQCRQFBKWENHFFW-UHFFFAOYSA-N
XLogP4.17
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 4030631
N-(2-hydroxyethyl)-2-(4-methylanilino)-1,3-thiazole-4-carboxamide
CID 3978830
N-butyl-2-(4-methylanilino)-1,3-thiazole-4-carboxamide
CID 3974707
2-[(4-methylphenyl)carbamoylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 16948332
2-[(2-phenylacetyl)amino]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 84555769
N-benzyl-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide
CID 5140917
2-[(2-anilino-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 42813690
2-(3,4-dimethoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 16955399
N-(2-hydroxyethyl)-2-(3-methylanilino)-1,3-thiazole-4-carboxamide
CID 25246908
2-anilino-N-[2-[di(propan-2-yl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 117085099
3-[[2-(4-fluoroanilino)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 42813686
2-(4-methylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazole-4-carboxamide
CID 7098101

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide (CID 3978833) is 2-(4-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide is Cc1ccc(Nc2nc(C(=O)NCCc3ccccc3)cs2)cc1.
What is the InChIKey of 2-(4-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is QCRQFBKWENHFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-14-7-9-16(10-8-14)21-19-22-17(13-24-19)18(23)20-12-11-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-(4-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
2-(4-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3978833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).