N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide

C19H16F3N3OS — CID 110395472

IUPACN-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide
SMILESCc1nc(-c2ccccn2)sc1CCNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H16F3N3OS/c1-12-16(27-18(25-12)15-4-2-3-10-23-15)9-11-24-17(26)13-5-7-14(8-6-13)19(20,21)22/h2-8,10H,9,11H2,1H3,(H,24,26)
InChIKeyRXAUDVJTQBGUHR-UHFFFAOYSA-N
MW391.42 g/mol
LogP4.50
Rot. Bonds5

About N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide

N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 110395472) has the molecular formula C19H16F3N3OS and a molecular weight of 391.42 g/mol. Its IUPAC name is N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide
PubChem CID110395472
Molecular FormulaC19H16F3N3OS
Molecular Weight391.42 g/mol
Exact Mass391.10
IUPAC NameN-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide
SMILESCc1nc(-c2ccccn2)sc1CCNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H16F3N3OS/c1-12-16(27-18(25-12)15-4-2-3-10-23-15)9-11-24-17(26)13-5-7-14(8-6-13)19(20,21)22/h2-8,10H,9,11H2,1H3,(H,24,26)
InChIKeyRXAUDVJTQBGUHR-UHFFFAOYSA-N
XLogP4.50
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,4-trifluoro-N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]benzamide
CID 110395471
2,6-dimethoxy-N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]benzamide
CID 110395441
N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
CID 110328955
N,4-dimethyl-2-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 24515264
N-butyl-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
CID 110328903
N-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]pyridine-3-carboxamide
CID 110395353
N-benzyl-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
CID 110328924
4-chloro-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide
CID 7222771
N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 110717697
N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-4-(trifluoromethyl)benzamide
CID 1477992
N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 134040764
3,4-dimethyl-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide
CID 7502972

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide (CID 110395472) is N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide is Cc1nc(-c2ccccn2)sc1CCNC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is RXAUDVJTQBGUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3OS/c1-12-16(27-18(25-12)15-4-2-3-10-23-15)9-11-24-17(26)13-5-7-14(8-6-13)19(20,21)22/h2-8,10H,9,11H2,1H3,(H,24,26).
What are the key properties of N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide?
N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 391.42 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 110395472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).