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

C19H19N3OS — CID 4030631

IUPAC2-(3-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
SMILESCc1cccc(Nc2nc(C(=O)NCCc3ccccc3)cs2)c1
InChIInChI=1S/C19H19N3OS/c1-14-6-5-9-16(12-14)21-19-22-17(13-24-19)18(23)20-11-10-15-7-3-2-4-8-15/h2-9,12-13H,10-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyLUFNHOQYYRYCTQ-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.17
Rot. Bonds6

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

2-(3-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 4030631) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-(3-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
PubChem CID4030631
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name2-(3-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
SMILESCc1cccc(Nc2nc(C(=O)NCCc3ccccc3)cs2)c1
InChIInChI=1S/C19H19N3OS/c1-14-6-5-9-16(12-14)21-19-22-17(13-24-19)18(23)20-11-10-15-7-3-2-4-8-15/h2-9,12-13H,10-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyLUFNHOQYYRYCTQ-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-(4-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 3978833
N-(2-hydroxyethyl)-2-(3-methylanilino)-1,3-thiazole-4-carboxamide
CID 25246908
2-[[2-(3-methylanilino)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 42795716
N-benzyl-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide
CID 5140917
2-[(2-phenylacetyl)amino]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 84555769
2-(3,4-dimethoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 16955399
2-(3-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259417
N-[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-(3-methylanilino)-1,3-thiazole-4-carboxamide
CID 94013696
N-benzyl-2-(3-methylanilino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-4-carboxamide
CID 46136429
N-[2-(2-methoxyphenyl)ethyl]-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948483
6-methyl-2-(3-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109332517
N-(2-hydroxyethyl)-2-(4-methylanilino)-1,3-thiazole-4-carboxamide
CID 3978830

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide (CID 4030631) is 2-(3-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide is Cc1cccc(Nc2nc(C(=O)NCCc3ccccc3)cs2)c1.
What is the InChIKey of 2-(3-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is LUFNHOQYYRYCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-14-6-5-9-16(12-14)21-19-22-17(13-24-19)18(23)20-11-10-15-7-3-2-4-8-15/h2-9,12-13H,10-11H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-(3-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
2-(3-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-(3-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 4030631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).