6-chloro-N-(4,4-difluorocyclohexyl)thieno[3,2-c]pyridine-2-carboxamide

C14H13ClF2N2OS — CID 166390917

IUPAC6-chloro-N-(4,4-difluorocyclohexyl)thieno[3,2-c]pyridine-2-carboxamide
SMILESO=C(NC1CCC(F)(F)CC1)c1cc2cnc(Cl)cc2s1
InChIInChI=1S/C14H13ClF2N2OS/c15-12-6-10-8(7-18-12)5-11(21-10)13(20)19-9-1-3-14(16,17)4-2-9/h5-7,9H,1-4H2,(H,19,20)
InChIKeyAFPFQRGPSJDIIN-UHFFFAOYSA-N
MW330.79 g/mol
LogP4.26
Rot. Bonds2

About 6-chloro-N-(4,4-difluorocyclohexyl)thieno[3,2-c]pyridine-2-carboxamide

6-chloro-N-(4,4-difluorocyclohexyl)thieno[3,2-c]pyridine-2-carboxamide (PubChem CID 166390917) has the molecular formula C14H13ClF2N2OS and a molecular weight of 330.79 g/mol. Its IUPAC name is 6-chloro-N-(4,4-difluorocyclohexyl)thieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(4,4-difluorocyclohexyl)thieno[3,2-c]pyridine-2-carboxamide
PubChem CID166390917
Molecular FormulaC14H13ClF2N2OS
Molecular Weight330.79 g/mol
Exact Mass330.04
IUPAC Name6-chloro-N-(4,4-difluorocyclohexyl)thieno[3,2-c]pyridine-2-carboxamide
SMILESO=C(NC1CCC(F)(F)CC1)c1cc2cnc(Cl)cc2s1
InChIInChI=1S/C14H13ClF2N2OS/c15-12-6-10-8(7-18-12)5-11(21-10)13(20)19-9-1-3-14(16,17)4-2-9/h5-7,9H,1-4H2,(H,19,20)
InChIKeyAFPFQRGPSJDIIN-UHFFFAOYSA-N
XLogP4.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.79
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)thieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)thieno[3,2-c]pyridine-2-carboxamide (CID 166390917) is 6-chloro-N-(4,4-difluorocyclohexyl)thieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(4,4-difluorocyclohexyl)thieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(4,4-difluorocyclohexyl)thieno[3,2-c]pyridine-2-carboxamide is O=C(NC1CCC(F)(F)CC1)c1cc2cnc(Cl)cc2s1.
What is the InChIKey of 6-chloro-N-(4,4-difluorocyclohexyl)thieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is AFPFQRGPSJDIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF2N2OS/c15-12-6-10-8(7-18-12)5-11(21-10)13(20)19-9-1-3-14(16,17)4-2-9/h5-7,9H,1-4H2,(H,19,20).
What are the key properties of 6-chloro-N-(4,4-difluorocyclohexyl)thieno[3,2-c]pyridine-2-carboxamide?
6-chloro-N-(4,4-difluorocyclohexyl)thieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 330.79 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4,4-difluorocyclohexyl)thieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 166390917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).