N-(2-ethylphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide

C19H18FN3OS — CID 30142209

IUPACN-(2-ethylphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1ccccc1NC(=O)c1sc(Nc2ccc(F)cc2)nc1C
InChIInChI=1S/C19H18FN3OS/c1-3-13-6-4-5-7-16(13)23-18(24)17-12(2)21-19(25-17)22-15-10-8-14(20)9-11-15/h4-11H,3H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyAKHXRTIOXXZZRH-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.15
Rot. Bonds5

About N-(2-ethylphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide

N-(2-ethylphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 30142209) has the molecular formula C19H18FN3OS and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID30142209
Molecular FormulaC19H18FN3OS
Molecular Weight355.44 g/mol
Exact Mass355.12
IUPAC NameN-(2-ethylphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1ccccc1NC(=O)c1sc(Nc2ccc(F)cc2)nc1C
InChIInChI=1S/C19H18FN3OS/c1-3-13-6-4-5-7-16(13)23-18(24)17-12(2)21-19(25-17)22-15-10-8-14(20)9-11-15/h4-11H,3H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyAKHXRTIOXXZZRH-UHFFFAOYSA-N
XLogP5.15
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142319
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
2-(2-ethylanilino)-N-(3-fluoro-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152829
2-(2-ethoxyanilino)-N-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152843
2-[(4-fluorophenyl)carbamoylamino]-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 16897753
2-(4-fluoroanilino)-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 30142215
2-(4-fluoroanilino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142312
2-(benzenesulfonamido)-N-(2-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16944395
2-(4-fluoroanilino)-4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
CID 30142360
N-(5-chloro-2-phenoxyphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142497
2-(4-fluoroanilino)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 30142300

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide (CID 30142209) is N-(2-ethylphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide is CCc1ccccc1NC(=O)c1sc(Nc2ccc(F)cc2)nc1C.
What is the InChIKey of N-(2-ethylphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is AKHXRTIOXXZZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3OS/c1-3-13-6-4-5-7-16(13)23-18(24)17-12(2)21-19(25-17)22-15-10-8-14(20)9-11-15/h4-11H,3H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of N-(2-ethylphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide?
N-(2-ethylphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 30142209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).