N-(2-pyridin-2-ylethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxamide

C19H16F3N3O2S — CID 46003397

IUPACN-(2-pyridin-2-ylethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCCc1ccccn1)c1csc(COc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C19H16F3N3O2S/c20-19(21,22)13-4-3-6-15(10-13)27-11-17-25-16(12-28-17)18(26)24-9-7-14-5-1-2-8-23-14/h1-6,8,10,12H,7,9,11H2,(H,24,26)
InChIKeyJWSVHYHHBZORMR-UHFFFAOYSA-N
MW407.42 g/mol
LogP4.11
Rot. Bonds7

About N-(2-pyridin-2-ylethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxamide

N-(2-pyridin-2-ylethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 46003397) has the molecular formula C19H16F3N3O2S and a molecular weight of 407.42 g/mol. Its IUPAC name is N-(2-pyridin-2-ylethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-pyridin-2-ylethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxamide
PubChem CID46003397
Molecular FormulaC19H16F3N3O2S
Molecular Weight407.42 g/mol
Exact Mass407.09
IUPAC NameN-(2-pyridin-2-ylethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCCc1ccccn1)c1csc(COc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C19H16F3N3O2S/c20-19(21,22)13-4-3-6-15(10-13)27-11-17-25-16(12-28-17)18(26)24-9-7-14-5-1-2-8-23-14/h1-6,8,10,12H,7,9,11H2,(H,24,26)
InChIKeyJWSVHYHHBZORMR-UHFFFAOYSA-N
XLogP4.11
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,6-Difluorophenyl)-N-{4-[(3s)-Pyrrolidin-3-Yloxy]pyridin-3-Yl}-1,3-Thiazole-4-Carboxamide
CID 71262654
2-(2,6-difluorophenyl)-N-[4-(4-hydroxycyclohexyl)oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 71262574
2-(2,6-difluorophenyl)-N-[4-(oxan-4-ylmethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 71262581
2-(2,6-difluorophenyl)-N-(4-piperidin-4-yloxy-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 71262764
N-(4-cyclohexyloxy-3-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 118720249
2-(4-Phenoxyphenyl)-N-[4-(1-piperazinyl)-3-pyridinyl]-4-thiazolecarboxamide
CID 25096256
IRAK inhibitor 6
CID 44449392
2-(2,6-difluorophenyl)-N-[4-[(3R)-pyrrolidin-3-yl]oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 71262790
2-(2,6-difluorophenyl)-N-[4-(oxan-4-yloxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 71262793
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-2-(3-ethoxy-2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 44217681
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-2-(2,6-difluoro-3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 44217685
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-2-(2,6-difluoro-3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 59455735

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-2-ylethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-pyridin-2-ylethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxamide (CID 46003397) is N-(2-pyridin-2-ylethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-pyridin-2-ylethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-pyridin-2-ylethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxamide is O=C(NCCc1ccccn1)c1csc(COc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-(2-pyridin-2-ylethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is JWSVHYHHBZORMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2S/c20-19(21,22)13-4-3-6-15(10-13)27-11-17-25-16(12-28-17)18(26)24-9-7-14-5-1-2-8-23-14/h1-6,8,10,12H,7,9,11H2,(H,24,26).
What are the key properties of N-(2-pyridin-2-ylethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxamide?
N-(2-pyridin-2-ylethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 407.42 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-2-ylethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46003397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).