[3-amino-6-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanone

C18H11ClN2OS2 — CID 23943421

IUPAC[3-amino-6-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanone
SMILESNc1c(C(=O)c2cccs2)sc2nc(-c3ccc(Cl)cc3)ccc12
InChIInChI=1S/C18H11ClN2OS2/c19-11-5-3-10(4-6-11)13-8-7-12-15(20)17(24-18(12)21-13)16(22)14-2-1-9-23-14/h1-9H,20H2
InChIKeyMTGHZVMPJSPYGM-UHFFFAOYSA-N
MW370.89 g/mol
LogP5.49
Rot. Bonds3

About [3-amino-6-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanone

[3-amino-6-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanone (PubChem CID 23943421) has the molecular formula C18H11ClN2OS2 and a molecular weight of 370.89 g/mol. Its IUPAC name is [3-amino-6-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[3-amino-6-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanone
PubChem CID23943421
Molecular FormulaC18H11ClN2OS2
Molecular Weight370.89 g/mol
Exact Mass370.00
IUPAC Name[3-amino-6-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanone
SMILESNc1c(C(=O)c2cccs2)sc2nc(-c3ccc(Cl)cc3)ccc12
InChIInChI=1S/C18H11ClN2OS2/c19-11-5-3-10(4-6-11)13-8-7-12-15(20)17(24-18(12)21-13)16(22)14-2-1-9-23-14/h1-9H,20H2
InChIKeyMTGHZVMPJSPYGM-UHFFFAOYSA-N
XLogP5.49
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.89
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-amino-6-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanone?
The IUPAC name of [3-amino-6-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanone (CID 23943421) is [3-amino-6-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [3-amino-6-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [3-amino-6-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanone is Nc1c(C(=O)c2cccs2)sc2nc(-c3ccc(Cl)cc3)ccc12.
What is the InChIKey of [3-amino-6-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanone?
The InChIKey is MTGHZVMPJSPYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2OS2/c19-11-5-3-10(4-6-11)13-8-7-12-15(20)17(24-18(12)21-13)16(22)14-2-1-9-23-14/h1-9H,20H2.
What are the key properties of [3-amino-6-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanone?
[3-amino-6-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanone has a molecular weight of 370.89 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 23943421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).