(2-amino-5-pyridin-4-ylthiophen-3-yl)-(4-chlorophenyl)methanone

C16H11ClN2OS — CID 46939634

IUPAC(2-amino-5-pyridin-4-ylthiophen-3-yl)-(4-chlorophenyl)methanone
SMILESNc1sc(-c2ccncc2)cc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClN2OS/c17-12-3-1-11(2-4-12)15(20)13-9-14(21-16(13)18)10-5-7-19-8-6-10/h1-9H,18H2
InChIKeyNUNOJDQUNPAKEG-UHFFFAOYSA-N
MW314.80 g/mol
LogP4.28
Rot. Bonds3

About (2-amino-5-pyridin-4-ylthiophen-3-yl)-(4-chlorophenyl)methanone

(2-amino-5-pyridin-4-ylthiophen-3-yl)-(4-chlorophenyl)methanone (PubChem CID 46939634) has the molecular formula C16H11ClN2OS and a molecular weight of 314.80 g/mol. Its IUPAC name is (2-amino-5-pyridin-4-ylthiophen-3-yl)-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name(2-amino-5-pyridin-4-ylthiophen-3-yl)-(4-chlorophenyl)methanone
PubChem CID46939634
Molecular FormulaC16H11ClN2OS
Molecular Weight314.80 g/mol
Exact Mass314.03
IUPAC Name(2-amino-5-pyridin-4-ylthiophen-3-yl)-(4-chlorophenyl)methanone
SMILESNc1sc(-c2ccncc2)cc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClN2OS/c17-12-3-1-11(2-4-12)15(20)13-9-14(21-16(13)18)10-5-7-19-8-6-10/h1-9H,18H2
InChIKeyNUNOJDQUNPAKEG-UHFFFAOYSA-N
XLogP4.28
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.80
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-pyridin-4-ylthiophen-3-yl)-(4-chlorophenyl)methanone?
The IUPAC name of (2-amino-5-pyridin-4-ylthiophen-3-yl)-(4-chlorophenyl)methanone (CID 46939634) is (2-amino-5-pyridin-4-ylthiophen-3-yl)-(4-chlorophenyl)methanone.
What is the SMILES notation for (2-amino-5-pyridin-4-ylthiophen-3-yl)-(4-chlorophenyl)methanone?
The canonical SMILES for (2-amino-5-pyridin-4-ylthiophen-3-yl)-(4-chlorophenyl)methanone is Nc1sc(-c2ccncc2)cc1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2-amino-5-pyridin-4-ylthiophen-3-yl)-(4-chlorophenyl)methanone?
The InChIKey is NUNOJDQUNPAKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2OS/c17-12-3-1-11(2-4-12)15(20)13-9-14(21-16(13)18)10-5-7-19-8-6-10/h1-9H,18H2.
What are the key properties of (2-amino-5-pyridin-4-ylthiophen-3-yl)-(4-chlorophenyl)methanone?
(2-amino-5-pyridin-4-ylthiophen-3-yl)-(4-chlorophenyl)methanone has a molecular weight of 314.80 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-pyridin-4-ylthiophen-3-yl)-(4-chlorophenyl)methanone is sourced from PubChem (CID 46939634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).