N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide

C17H9F3N4OS — CID 122690848

IUPACN-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
SMILESN#Cc1sc(NC(=O)c2ccc(C(F)(F)F)cc2)nc1-c1ccccn1
InChIInChI=1S/C17H9F3N4OS/c18-17(19,20)11-6-4-10(5-7-11)15(25)24-16-23-14(13(9-21)26-16)12-3-1-2-8-22-12/h1-8H,(H,23,24,25)
InChIKeyAKMZYYBKYFJYFG-UHFFFAOYSA-N
MW374.35 g/mol
LogP4.35
Rot. Bonds3

About N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide

N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide (PubChem CID 122690848) has the molecular formula C17H9F3N4OS and a molecular weight of 374.35 g/mol. Its IUPAC name is N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
PubChem CID122690848
Molecular FormulaC17H9F3N4OS
Molecular Weight374.35 g/mol
Exact Mass374.04
IUPAC NameN-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
SMILESN#Cc1sc(NC(=O)c2ccc(C(F)(F)F)cc2)nc1-c1ccccn1
InChIInChI=1S/C17H9F3N4OS/c18-17(19,20)11-6-4-10(5-7-11)15(25)24-16-23-14(13(9-21)26-16)12-3-1-2-8-22-12/h1-8H,(H,23,24,25)
InChIKeyAKMZYYBKYFJYFG-UHFFFAOYSA-N
XLogP4.35
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-4-methylthiophene-2-carboxamide
CID 122691007
N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-2-methoxy-4-(trifluoromethoxy)benzamide
CID 122691018
1-[4-pyridin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 122690920
N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-3-pyrimidin-5-yltriazole-4-carboxamide
CID 176858944
3-[(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 87302475
N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 90606185
N-[5-cyano-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
CID 176859505
N-(5-fluoro-4-pyridin-2-yl-1,3-thiazol-2-yl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 176858974
4-[N-methyl-4-(trifluoromethyl)anilino]sulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 139506141
N-(2-cyanophenyl)-4-(trifluoromethyl)benzamide
CID 9115538
6-chloro-N-[5-cyano-4-(2-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 151692836
N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 110395472

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide (CID 122690848) is N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide is N#Cc1sc(NC(=O)c2ccc(C(F)(F)F)cc2)nc1-c1ccccn1.
What is the InChIKey of N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is AKMZYYBKYFJYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F3N4OS/c18-17(19,20)11-6-4-10(5-7-11)15(25)24-16-23-14(13(9-21)26-16)12-3-1-2-8-22-12/h1-8H,(H,23,24,25).
What are the key properties of N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide?
N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 374.35 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 122690848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).