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

C20H21N3O2S — CID 53152980

IUPACN-(4-ethylphenyl)-2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1ccc(NC(=O)c2sc(Nc3cccc(OC)c3)nc2C)cc1
InChIInChI=1S/C20H21N3O2S/c1-4-14-8-10-15(11-9-14)22-19(24)18-13(2)21-20(26-18)23-16-6-5-7-17(12-16)25-3/h5-12H,4H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyABZZBLNARXRFPX-UHFFFAOYSA-N
MW367.47 g/mol
LogP5.02
Rot. Bonds6

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

N-(4-ethylphenyl)-2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 53152980) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID53152980
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-(4-ethylphenyl)-2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1ccc(NC(=O)c2sc(Nc3cccc(OC)c3)nc2C)cc1
InChIInChI=1S/C20H21N3O2S/c1-4-14-8-10-15(11-9-14)22-19(24)18-13(2)21-20(26-18)23-16-6-5-7-17(12-16)25-3/h5-12H,4H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyABZZBLNARXRFPX-UHFFFAOYSA-N
XLogP5.02
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.47
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluoroanilino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142312
methyl 2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 78916420
N-(3,5-dimethoxyphenyl)-4-methyl-2-(3-methylanilino)-1,3-thiazole-5-carboxamide
CID 53152783
N-(3-methoxyphenyl)-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897062
methyl 2-(3-ethoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 80569757
4-methyl-2-(3-methylanilino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152765
N-(3-chloro-4-methoxyphenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152928
2-chloro-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 850554
2-(methoxymethyl)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 110374885
N-(3,4-difluorophenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152907
4-methyl-2-(4-methylanilino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152942
2-(cyclohexanecarbonylamino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 1468236

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxamide (CID 53152980) is N-(4-ethylphenyl)-2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxamide is CCc1ccc(NC(=O)c2sc(Nc3cccc(OC)c3)nc2C)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is ABZZBLNARXRFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-4-14-8-10-15(11-9-14)22-19(24)18-13(2)21-20(26-18)23-16-6-5-7-17(12-16)25-3/h5-12H,4H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-(4-ethylphenyl)-2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxamide?
N-(4-ethylphenyl)-2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53152980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).