N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C18H14F3N3O2S — CID 46696402

IUPACN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)c3ccc(OCC(F)(F)F)nc3)c2)cs1
InChIInChI=1S/C18H14F3N3O2S/c1-11-23-15(9-27-11)12-3-2-4-14(7-12)24-17(25)13-5-6-16(22-8-13)26-10-18(19,20)21/h2-9H,10H2,1H3,(H,24,25)
InChIKeyFIMJRKUREYKWQJ-UHFFFAOYSA-N
MW393.39 g/mol
LogP4.71
Rot. Bonds5

About N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 46696402) has the molecular formula C18H14F3N3O2S and a molecular weight of 393.39 g/mol. Its IUPAC name is N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID46696402
Molecular FormulaC18H14F3N3O2S
Molecular Weight393.39 g/mol
Exact Mass393.08
IUPAC NameN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)c3ccc(OCC(F)(F)F)nc3)c2)cs1
InChIInChI=1S/C18H14F3N3O2S/c1-11-23-15(9-27-11)12-3-2-4-14(7-12)24-17(25)13-5-6-16(22-8-13)26-10-18(19,20)21/h2-9H,10H2,1H3,(H,24,25)
InChIKeyFIMJRKUREYKWQJ-UHFFFAOYSA-N
XLogP4.71
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(chlorodifluoromethoxy)phenyl]-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644841
N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide
CID 10094283
N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 11639553
N-(3,5-dimethylphenyl)-2-[(2-methoxy-4-pyridinyl)methylsulfanyl]pyridine-3-carboxamide
CID 23093948
ethyl 5-[2-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-yl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxylate
CID 45483837
n-(2-Methyl-5-1,3-thiazol-2-yl-phenyl)-4-(pyridin-2-ylmethoxy)benzamide
CID 67379418
N-(4-phenoxyphenyl)-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644856
[4-[[4-(2,2,2-Trifluoroethoxy)phenyl]methyl]piperazin-1-yl]-[6-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-3-pyridinyl]methanone
CID 168271637
5-Cyclopropyl-6-(2,2,2-trifluoro-ethoxy)-pyridine-2-carboxylic acid (1-methyl-1-thiazol-2-yl-ethyl)-amide
CID 71093567
4-ethoxy-N-(2-(2-(pyridin-3-yl)thiazol-4-yl)ethyl)benzamide
CID 7119156
2-ethoxy-N-(3-(thiazolo[5,4-b]pyridin-2-yl)phenyl)nicotinamide
CID 16194617
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 31816208

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 46696402) is N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is Cc1nc(-c2cccc(NC(=O)c3ccc(OCC(F)(F)F)nc3)c2)cs1.
What is the InChIKey of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is FIMJRKUREYKWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2S/c1-11-23-15(9-27-11)12-3-2-4-14(7-12)24-17(25)13-5-6-16(22-8-13)26-10-18(19,20)21/h2-9H,10H2,1H3,(H,24,25).
What are the key properties of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 393.39 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 46696402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).