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

C18H16FN3O2S — CID 30142312

IUPAC2-(4-fluoroanilino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(NC(=O)c2sc(Nc3ccc(F)cc3)nc2C)c1
InChIInChI=1S/C18H16FN3O2S/c1-11-16(17(23)21-14-4-3-5-15(10-14)24-2)25-18(20-11)22-13-8-6-12(19)7-9-13/h3-10H,1-2H3,(H,20,22)(H,21,23)
InChIKeyGUYZQMVOTYNIRY-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.60
Rot. Bonds5

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

2-(4-fluoroanilino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 30142312) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-fluoroanilino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID30142312
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC Name2-(4-fluoroanilino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(NC(=O)c2sc(Nc3ccc(F)cc3)nc2C)c1
InChIInChI=1S/C18H16FN3O2S/c1-11-16(17(23)21-14-4-3-5-15(10-14)24-2)25-18(20-11)22-13-8-6-12(19)7-9-13/h3-10H,1-2H3,(H,20,22)(H,21,23)
InChIKeyGUYZQMVOTYNIRY-UHFFFAOYSA-N
XLogP4.60
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluoroanilino)-4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
CID 30142360
2-(4-fluoroanilino)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 30142300
N-(4-ethylphenyl)-2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152980
2-(4-fluoroanilino)-4-methyl-N-(3-nitrophenyl)-1,3-thiazole-5-carboxamide
CID 30142383
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
N-(3-chloro-4-methoxyphenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152928
4-methyl-2-(4-methylanilino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152942
N-(3,4-difluorophenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152907
methyl 2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 78916420
2-[(4-fluorophenyl)carbamoylamino]-N-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16897770
2-(4-methoxyanilino)-N-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 2360763

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-fluoroanilino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 30142312) is 2-(4-fluoroanilino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-fluoroanilino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-fluoroanilino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is COc1cccc(NC(=O)c2sc(Nc3ccc(F)cc3)nc2C)c1.
What is the InChIKey of 2-(4-fluoroanilino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is GUYZQMVOTYNIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c1-11-16(17(23)21-14-4-3-5-15(10-14)24-2)25-18(20-11)22-13-8-6-12(19)7-9-13/h3-10H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2-(4-fluoroanilino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-(4-fluoroanilino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 30142312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).