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

C18H11F3N4O3S — CID 122691018

IUPACN-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-2-methoxy-4-(trifluoromethoxy)benzamide
SMILESCOc1cc(OC(F)(F)F)ccc1C(=O)Nc1nc(-c2ccccn2)c(C#N)s1
InChIInChI=1S/C18H11F3N4O3S/c1-27-13-8-10(28-18(19,20)21)5-6-11(13)16(26)25-17-24-15(14(9-22)29-17)12-4-2-3-7-23-12/h2-8H,1H3,(H,24,25,26)
InChIKeyXWZYJMIWEDOXNK-UHFFFAOYSA-N
MW420.37 g/mol
LogP4.24
Rot. Bonds5

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

N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-2-methoxy-4-(trifluoromethoxy)benzamide (PubChem CID 122691018) has the molecular formula C18H11F3N4O3S and a molecular weight of 420.37 g/mol. Its IUPAC name is N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-2-methoxy-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-2-methoxy-4-(trifluoromethoxy)benzamide
PubChem CID122691018
Molecular FormulaC18H11F3N4O3S
Molecular Weight420.37 g/mol
Exact Mass420.05
IUPAC NameN-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-2-methoxy-4-(trifluoromethoxy)benzamide
SMILESCOc1cc(OC(F)(F)F)ccc1C(=O)Nc1nc(-c2ccccn2)c(C#N)s1
InChIInChI=1S/C18H11F3N4O3S/c1-27-13-8-10(28-18(19,20)21)5-6-11(13)16(26)25-17-24-15(14(9-22)29-17)12-4-2-3-7-23-12/h2-8H,1H3,(H,24,25,26)
InChIKeyXWZYJMIWEDOXNK-UHFFFAOYSA-N
XLogP4.24
TPSA97.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.37
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxy-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 122555372
N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 122690848
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)-3-pyrimidin-5-yltriazole-4-carboxamide
CID 176858944
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethoxybenzamide
CID 903456
3-[(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 87302475
N-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 7193198
N-[5-cyano-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
CID 176859505
N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-2,4-dimethoxybenzamide
CID 3600880
(2,4-dimethoxyphenyl)-(6-pyridin-2-yl-2-pyridinyl)methanone
CID 135252418
6-chloro-N-[5-cyano-4-(2-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 151692836
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 1091092

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-2-methoxy-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-2-methoxy-4-(trifluoromethoxy)benzamide (CID 122691018) is N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-2-methoxy-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-2-methoxy-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-2-methoxy-4-(trifluoromethoxy)benzamide is COc1cc(OC(F)(F)F)ccc1C(=O)Nc1nc(-c2ccccn2)c(C#N)s1.
What is the InChIKey of N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-2-methoxy-4-(trifluoromethoxy)benzamide?
The InChIKey is XWZYJMIWEDOXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N4O3S/c1-27-13-8-10(28-18(19,20)21)5-6-11(13)16(26)25-17-24-15(14(9-22)29-17)12-4-2-3-7-23-12/h2-8H,1H3,(H,24,25,26).
What are the key properties of N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-2-methoxy-4-(trifluoromethoxy)benzamide?
N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-2-methoxy-4-(trifluoromethoxy)benzamide has a molecular weight of 420.37 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-2-methoxy-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 122691018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).