2-[1-(7-chloro-2-methylthieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine

C15H12ClF3N4S2 — CID 18799906

IUPAC2-[1-(7-chloro-2-methylthieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1cc2cc(C(C)Sc3nc(N)cc(C(F)(F)F)n3)nc(Cl)c2s1
InChIInChI=1S/C15H12ClF3N4S2/c1-6-3-8-4-9(21-13(16)12(8)24-6)7(2)25-14-22-10(15(17,18)19)5-11(20)23-14/h3-5,7H,1-2H3,(H2,20,22,23)
InChIKeyZEESADIKKKPCGX-UHFFFAOYSA-N
MW404.87 g/mol
LogP5.50
Rot. Bonds3

About 2-[1-(7-chloro-2-methylthieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine

2-[1-(7-chloro-2-methylthieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 18799906) has the molecular formula C15H12ClF3N4S2 and a molecular weight of 404.87 g/mol. Its IUPAC name is 2-[1-(7-chloro-2-methylthieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[1-(7-chloro-2-methylthieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID18799906
Molecular FormulaC15H12ClF3N4S2
Molecular Weight404.87 g/mol
Exact Mass404.01
IUPAC Name2-[1-(7-chloro-2-methylthieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1cc2cc(C(C)Sc3nc(N)cc(C(F)(F)F)n3)nc(Cl)c2s1
InChIInChI=1S/C15H12ClF3N4S2/c1-6-3-8-4-9(21-13(16)12(8)24-6)7(2)25-14-22-10(15(17,18)19)5-11(20)23-14/h3-5,7H,1-2H3,(H2,20,22,23)
InChIKeyZEESADIKKKPCGX-UHFFFAOYSA-N
XLogP5.50
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.87
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[1-(7-chloro-2-methylthieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(7-chloro-2-methylthieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-[1-(7-chloro-2-methylthieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 18799906) is 2-[1-(7-chloro-2-methylthieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-[1-(7-chloro-2-methylthieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-[1-(7-chloro-2-methylthieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine is Cc1cc2cc(C(C)Sc3nc(N)cc(C(F)(F)F)n3)nc(Cl)c2s1.
What is the InChIKey of 2-[1-(7-chloro-2-methylthieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is ZEESADIKKKPCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N4S2/c1-6-3-8-4-9(21-13(16)12(8)24-6)7(2)25-14-22-10(15(17,18)19)5-11(20)23-14/h3-5,7H,1-2H3,(H2,20,22,23).
What are the key properties of 2-[1-(7-chloro-2-methylthieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine?
2-[1-(7-chloro-2-methylthieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 404.87 g/mol, XLogP of 5.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(7-chloro-2-methylthieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 18799906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).