(2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(4-chlorophenyl)methanone

C15H15ClN2OS — CID 2814021

IUPAC(2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(4-chlorophenyl)methanone
SMILESCN1CCc2c(sc(N)c2C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H15ClN2OS/c1-18-7-6-11-12(8-18)20-15(17)13(11)14(19)9-2-4-10(16)5-3-9/h2-5H,6-8,17H2,1H3
InChIKeyVWCAIJQGZBDSRB-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.20
Rot. Bonds2

About (2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(4-chlorophenyl)methanone

(2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(4-chlorophenyl)methanone (PubChem CID 2814021) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is (2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name(2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(4-chlorophenyl)methanone
PubChem CID2814021
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name(2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(4-chlorophenyl)methanone
SMILESCN1CCc2c(sc(N)c2C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H15ClN2OS/c1-18-7-6-11-12(8-18)20-15(17)13(11)14(19)9-2-4-10(16)5-3-9/h2-5H,6-8,17H2,1H3
InChIKeyVWCAIJQGZBDSRB-UHFFFAOYSA-N
XLogP3.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(4-chlorophenyl)methanone?
The IUPAC name of (2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(4-chlorophenyl)methanone (CID 2814021) is (2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(4-chlorophenyl)methanone.
What is the SMILES notation for (2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(4-chlorophenyl)methanone?
The canonical SMILES for (2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(4-chlorophenyl)methanone is CN1CCc2c(sc(N)c2C(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of (2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(4-chlorophenyl)methanone?
The InChIKey is VWCAIJQGZBDSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c1-18-7-6-11-12(8-18)20-15(17)13(11)14(19)9-2-4-10(16)5-3-9/h2-5H,6-8,17H2,1H3.
What are the key properties of (2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(4-chlorophenyl)methanone?
(2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(4-chlorophenyl)methanone has a molecular weight of 306.82 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(4-chlorophenyl)methanone is sourced from PubChem (CID 2814021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).