3-amino-N-(2-chloro-5-fluorophenyl)thieno[3,2-b]pyridine-2-carboxamide

C14H9ClFN3OS — CID 107531684

IUPAC3-amino-N-(2-chloro-5-fluorophenyl)thieno[3,2-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2cc(F)ccc2Cl)sc2cccnc12
InChIInChI=1S/C14H9ClFN3OS/c15-8-4-3-7(16)6-9(8)19-14(20)13-11(17)12-10(21-13)2-1-5-18-12/h1-6H,17H2,(H,19,20)
InChIKeyPCCSYMUBLIBVID-UHFFFAOYSA-N
MW321.76 g/mol
LogP3.92
Rot. Bonds2

About 3-amino-N-(2-chloro-5-fluorophenyl)thieno[3,2-b]pyridine-2-carboxamide

3-amino-N-(2-chloro-5-fluorophenyl)thieno[3,2-b]pyridine-2-carboxamide (PubChem CID 107531684) has the molecular formula C14H9ClFN3OS and a molecular weight of 321.76 g/mol. Its IUPAC name is 3-amino-N-(2-chloro-5-fluorophenyl)thieno[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-chloro-5-fluorophenyl)thieno[3,2-b]pyridine-2-carboxamide
PubChem CID107531684
Molecular FormulaC14H9ClFN3OS
Molecular Weight321.76 g/mol
Exact Mass321.01
IUPAC Name3-amino-N-(2-chloro-5-fluorophenyl)thieno[3,2-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2cc(F)ccc2Cl)sc2cccnc12
InChIInChI=1S/C14H9ClFN3OS/c15-8-4-3-7(16)6-9(8)19-14(20)13-11(17)12-10(21-13)2-1-5-18-12/h1-6H,17H2,(H,19,20)
InChIKeyPCCSYMUBLIBVID-UHFFFAOYSA-N
XLogP3.92
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-chloro-5-fluorophenyl)thieno[3,2-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(2-chloro-5-fluorophenyl)thieno[3,2-b]pyridine-2-carboxamide (CID 107531684) is 3-amino-N-(2-chloro-5-fluorophenyl)thieno[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-chloro-5-fluorophenyl)thieno[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-chloro-5-fluorophenyl)thieno[3,2-b]pyridine-2-carboxamide is Nc1c(C(=O)Nc2cc(F)ccc2Cl)sc2cccnc12.
What is the InChIKey of 3-amino-N-(2-chloro-5-fluorophenyl)thieno[3,2-b]pyridine-2-carboxamide?
The InChIKey is PCCSYMUBLIBVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3OS/c15-8-4-3-7(16)6-9(8)19-14(20)13-11(17)12-10(21-13)2-1-5-18-12/h1-6H,17H2,(H,19,20).
What are the key properties of 3-amino-N-(2-chloro-5-fluorophenyl)thieno[3,2-b]pyridine-2-carboxamide?
3-amino-N-(2-chloro-5-fluorophenyl)thieno[3,2-b]pyridine-2-carboxamide has a molecular weight of 321.76 g/mol, XLogP of 3.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-chloro-5-fluorophenyl)thieno[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 107531684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).