2-(2-ethylanilino)-N-(3-fluoro-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

C20H20FN3OS — CID 53152829

IUPAC2-(2-ethylanilino)-N-(3-fluoro-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1ccccc1Nc1nc(C)c(C(=O)Nc2cccc(F)c2C)s1
InChIInChI=1S/C20H20FN3OS/c1-4-14-8-5-6-10-17(14)24-20-22-13(3)18(26-20)19(25)23-16-11-7-9-15(21)12(16)2/h5-11H,4H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyDKJTXLIGTRKMRR-UHFFFAOYSA-N
MW369.47 g/mol
LogP5.46
Rot. Bonds5

About 2-(2-ethylanilino)-N-(3-fluoro-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

2-(2-ethylanilino)-N-(3-fluoro-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 53152829) has the molecular formula C20H20FN3OS and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-(2-ethylanilino)-N-(3-fluoro-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-ethylanilino)-N-(3-fluoro-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID53152829
Molecular FormulaC20H20FN3OS
Molecular Weight369.47 g/mol
Exact Mass369.13
IUPAC Name2-(2-ethylanilino)-N-(3-fluoro-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1ccccc1Nc1nc(C)c(C(=O)Nc2cccc(F)c2C)s1
InChIInChI=1S/C20H20FN3OS/c1-4-14-8-5-6-10-17(14)24-20-22-13(3)18(26-20)19(25)23-16-11-7-9-15(21)12(16)2/h5-11H,4H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyDKJTXLIGTRKMRR-UHFFFAOYSA-N
XLogP5.46
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.47
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 50845488
2-(2-ethylanilino)-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 50845466
N-(2-ethylphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142209
2-(2-ethylanilino)-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53365483
2-(benzenesulfonamido)-N-(2-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16944395
2-(2-ethylanilino)-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 53365440
N-[(4-bromophenyl)methyl]-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53365458
2-(2-ethylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 95394541
N-(2-ethoxyphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142319
2-(2-ethoxyanilino)-N-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152843
2-(2-ethylanilino)-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 53365490
N-[(2-fluorophenyl)methyl]-4-methyl-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide
CID 53200053

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylanilino)-N-(3-fluoro-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-ethylanilino)-N-(3-fluoro-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 53152829) is 2-(2-ethylanilino)-N-(3-fluoro-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-ethylanilino)-N-(3-fluoro-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-ethylanilino)-N-(3-fluoro-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is CCc1ccccc1Nc1nc(C)c(C(=O)Nc2cccc(F)c2C)s1.
What is the InChIKey of 2-(2-ethylanilino)-N-(3-fluoro-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is DKJTXLIGTRKMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3OS/c1-4-14-8-5-6-10-17(14)24-20-22-13(3)18(26-20)19(25)23-16-11-7-9-15(21)12(16)2/h5-11H,4H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 2-(2-ethylanilino)-N-(3-fluoro-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-(2-ethylanilino)-N-(3-fluoro-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 5.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylanilino)-N-(3-fluoro-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53152829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).