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

C19H18FN3O2S — CID 30142319

IUPACN-(2-ethoxyphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCOc1ccccc1NC(=O)c1sc(Nc2ccc(F)cc2)nc1C
InChIInChI=1S/C19H18FN3O2S/c1-3-25-16-7-5-4-6-15(16)23-18(24)17-12(2)21-19(26-17)22-14-10-8-13(20)9-11-14/h4-11H,3H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyPHKVAZHNECTUOU-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.99
Rot. Bonds6

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

N-(2-ethoxyphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 30142319) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID30142319
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC NameN-(2-ethoxyphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCOc1ccccc1NC(=O)c1sc(Nc2ccc(F)cc2)nc1C
InChIInChI=1S/C19H18FN3O2S/c1-3-25-16-7-5-4-6-15(16)23-18(24)17-12(2)21-19(26-17)22-14-10-8-13(20)9-11-14/h4-11H,3H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyPHKVAZHNECTUOU-UHFFFAOYSA-N
XLogP4.99
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethoxyanilino)-N-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152843
N-(2-ethylphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142209
2-(2-ethoxyanilino)-4-methyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152832
N-(2-ethoxyphenyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 9192368
N-(5-chloro-2-phenoxyphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142497
2-(4-fluoroanilino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142312
2-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16945138
N-(2-ethoxyphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109316584
N-(2-ethoxyphenyl)-4-methylthiadiazole-5-carboxamide
CID 7293420
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)-4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
CID 30142360

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide (CID 30142319) is N-(2-ethoxyphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide is CCOc1ccccc1NC(=O)c1sc(Nc2ccc(F)cc2)nc1C.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is PHKVAZHNECTUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c1-3-25-16-7-5-4-6-15(16)23-18(24)17-12(2)21-19(26-17)22-14-10-8-13(20)9-11-14/h4-11H,3H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of N-(2-ethoxyphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide?
N-(2-ethoxyphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 30142319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).