2-(2-ethoxyanilino)-N-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide

C19H18FN3O2S — CID 53152843

IUPAC2-(2-ethoxyanilino)-N-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCOc1ccccc1Nc1nc(C)c(C(=O)Nc2ccc(F)cc2)s1
InChIInChI=1S/C19H18FN3O2S/c1-3-25-16-7-5-4-6-15(16)23-19-21-12(2)17(26-19)18(24)22-14-10-8-13(20)9-11-14/h4-11H,3H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyMWSBXSUCAKYWGF-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.99
Rot. Bonds6

About 2-(2-ethoxyanilino)-N-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide

2-(2-ethoxyanilino)-N-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 53152843) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-(2-ethoxyanilino)-N-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-ethoxyanilino)-N-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID53152843
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC Name2-(2-ethoxyanilino)-N-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCOc1ccccc1Nc1nc(C)c(C(=O)Nc2ccc(F)cc2)s1
InChIInChI=1S/C19H18FN3O2S/c1-3-25-16-7-5-4-6-15(16)23-19-21-12(2)17(26-19)18(24)22-14-10-8-13(20)9-11-14/h4-11H,3H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyMWSBXSUCAKYWGF-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)-4-methyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152832
N-(2-ethoxyphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142319
N-(2-ethylphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142209
N-(2-ethoxyphenyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 9192368
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-[(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
6-(2-ethoxyanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109358001
2-[(4-fluorophenyl)carbamoylamino]-N-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16897770
N-(4-fluorophenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 50753451

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyanilino)-N-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-ethoxyanilino)-N-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 53152843) is 2-(2-ethoxyanilino)-N-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-ethoxyanilino)-N-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-ethoxyanilino)-N-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide is CCOc1ccccc1Nc1nc(C)c(C(=O)Nc2ccc(F)cc2)s1.
What is the InChIKey of 2-(2-ethoxyanilino)-N-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is MWSBXSUCAKYWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c1-3-25-16-7-5-4-6-15(16)23-19-21-12(2)17(26-19)18(24)22-14-10-8-13(20)9-11-14/h4-11H,3H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-(2-ethoxyanilino)-N-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-(2-ethoxyanilino)-N-(4-fluorophenyl)-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 2-(2-ethoxyanilino)-N-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53152843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).