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

C14H10ClF3N4S2 — CID 18799982

IUPAC2-[1-(7-chlorothieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(Sc1nc(N)cc(C(F)(F)F)n1)c1cc2ccsc2c(Cl)n1
InChIInChI=1S/C14H10ClF3N4S2/c1-6(8-4-7-2-3-23-11(7)12(15)20-8)24-13-21-9(14(16,17)18)5-10(19)22-13/h2-6H,1H3,(H2,19,21,22)
InChIKeyPAYQAOSCWWLVLV-UHFFFAOYSA-N
MW390.84 g/mol
LogP5.19
Rot. Bonds3

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

2-[1-(7-chlorothieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 18799982) has the molecular formula C14H10ClF3N4S2 and a molecular weight of 390.84 g/mol. Its IUPAC name is 2-[1-(7-chlorothieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[1-(7-chlorothieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID18799982
Molecular FormulaC14H10ClF3N4S2
Molecular Weight390.84 g/mol
Exact Mass390.00
IUPAC Name2-[1-(7-chlorothieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(Sc1nc(N)cc(C(F)(F)F)n1)c1cc2ccsc2c(Cl)n1
InChIInChI=1S/C14H10ClF3N4S2/c1-6(8-4-7-2-3-23-11(7)12(15)20-8)24-13-21-9(14(16,17)18)5-10(19)22-13/h2-6H,1H3,(H2,19,21,22)
InChIKeyPAYQAOSCWWLVLV-UHFFFAOYSA-N
XLogP5.19
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.84
LogP ≤ 55.19
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-chlorothieno[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-chlorothieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-[1-(7-chlorothieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 18799982) is 2-[1-(7-chlorothieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-[1-(7-chlorothieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-[1-(7-chlorothieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine is CC(Sc1nc(N)cc(C(F)(F)F)n1)c1cc2ccsc2c(Cl)n1.
What is the InChIKey of 2-[1-(7-chlorothieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is PAYQAOSCWWLVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N4S2/c1-6(8-4-7-2-3-23-11(7)12(15)20-8)24-13-21-9(14(16,17)18)5-10(19)22-13/h2-6H,1H3,(H2,19,21,22).
What are the key properties of 2-[1-(7-chlorothieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine?
2-[1-(7-chlorothieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 390.84 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(7-chlorothieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 18799982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).