N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C19H16F3N3O3S — CID 31903835

IUPACN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCOc1ccc(-c2nc(NC(=O)c3cccnc3OCC(F)(F)F)sc2C)cc1
InChIInChI=1S/C19H16F3N3O3S/c1-11-15(12-5-7-13(27-2)8-6-12)24-18(29-11)25-16(26)14-4-3-9-23-17(14)28-10-19(20,21)22/h3-9H,10H2,1-2H3,(H,24,25,26)
InChIKeyAFCKWQAOMPBTIM-UHFFFAOYSA-N
MW423.42 g/mol
LogP4.72
Rot. Bonds6

About N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 31903835) has the molecular formula C19H16F3N3O3S and a molecular weight of 423.42 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID31903835
Molecular FormulaC19H16F3N3O3S
Molecular Weight423.42 g/mol
Exact Mass423.09
IUPAC NameN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCOc1ccc(-c2nc(NC(=O)c3cccnc3OCC(F)(F)F)sc2C)cc1
InChIInChI=1S/C19H16F3N3O3S/c1-11-15(12-5-7-13(27-2)8-6-12)24-18(29-11)25-16(26)14-4-3-9-23-17(14)28-10-19(20,21)22/h3-9H,10H2,1-2H3,(H,24,25,26)
InChIKeyAFCKWQAOMPBTIM-UHFFFAOYSA-N
XLogP4.72
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 4028071
2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 2671533
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylbenzamide
CID 3260995
2-iodo-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 3268654
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24572981
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide
CID 32939841
4-tert-butyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 1315978
2-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 32696405
2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]naphthalene-1-carboxylic acid
CID 174636232
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 5203850
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methyl-2-nitrobenzamide
CID 7916016
2-[4-[5-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-4-yl]phenoxy]acetic acid
CID 28864610

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 31903835) is N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is COc1ccc(-c2nc(NC(=O)c3cccnc3OCC(F)(F)F)sc2C)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is AFCKWQAOMPBTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O3S/c1-11-15(12-5-7-13(27-2)8-6-12)24-18(29-11)25-16(26)14-4-3-9-23-17(14)28-10-19(20,21)22/h3-9H,10H2,1-2H3,(H,24,25,26).
What are the key properties of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 423.42 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 31903835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).