3-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine

C13H13ClF3N3S — CID 115681182

IUPAC3-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCCc1cnc(C(C)Nc2ncc(C(F)(F)F)cc2Cl)s1
InChIInChI=1S/C13H13ClF3N3S/c1-3-9-6-19-12(21-9)7(2)20-11-10(14)4-8(5-18-11)13(15,16)17/h4-7H,3H2,1-2H3,(H,18,20)
InChIKeyFTOLHQRQQGWXEU-UHFFFAOYSA-N
MW335.78 g/mol
LogP4.95
Rot. Bonds4

About 3-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 115681182) has the molecular formula C13H13ClF3N3S and a molecular weight of 335.78 g/mol. Its IUPAC name is 3-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID115681182
Molecular FormulaC13H13ClF3N3S
Molecular Weight335.78 g/mol
Exact Mass335.05
IUPAC Name3-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCCc1cnc(C(C)Nc2ncc(C(F)(F)F)cc2Cl)s1
InChIInChI=1S/C13H13ClF3N3S/c1-3-9-6-19-12(21-9)7(2)20-11-10(14)4-8(5-18-11)13(15,16)17/h4-7H,3H2,1-2H3,(H,18,20)
InChIKeyFTOLHQRQQGWXEU-UHFFFAOYSA-N
XLogP4.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.78
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine (CID 115681182) is 3-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine is CCc1cnc(C(C)Nc2ncc(C(F)(F)F)cc2Cl)s1.
What is the InChIKey of 3-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is FTOLHQRQQGWXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF3N3S/c1-3-9-6-19-12(21-9)7(2)20-11-10(14)4-8(5-18-11)13(15,16)17/h4-7H,3H2,1-2H3,(H,18,20).
What are the key properties of 3-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 335.78 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 115681182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).