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

C16H18N2O2S — CID 2814017

IUPAC(2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(N)sc3c2CCN(C)C3)cc1
InChIInChI=1S/C16H18N2O2S/c1-18-8-7-12-13(9-18)21-16(17)14(12)15(19)10-3-5-11(20-2)6-4-10/h3-6H,7-9,17H2,1-2H3
InChIKeyHTGDDQHLBJKQSV-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.56
Rot. Bonds3

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

(2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(4-methoxyphenyl)methanone (PubChem CID 2814017) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is (2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(4-methoxyphenyl)methanone
PubChem CID2814017
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name(2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(N)sc3c2CCN(C)C3)cc1
InChIInChI=1S/C16H18N2O2S/c1-18-8-7-12-13(9-18)21-16(17)14(12)15(19)10-3-5-11(20-2)6-4-10/h3-6H,7-9,17H2,1-2H3
InChIKeyHTGDDQHLBJKQSV-UHFFFAOYSA-N
XLogP2.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methoxyphenyl)methanone?
The IUPAC name of (2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(4-methoxyphenyl)methanone (CID 2814017) is (2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2c(N)sc3c2CCN(C)C3)cc1.
What is the InChIKey of (2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(4-methoxyphenyl)methanone?
The InChIKey is HTGDDQHLBJKQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-18-8-7-12-13(9-18)21-16(17)14(12)15(19)10-3-5-11(20-2)6-4-10/h3-6H,7-9,17H2,1-2H3.
What are the key properties of (2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(4-methoxyphenyl)methanone?
(2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(4-methoxyphenyl)methanone has a molecular weight of 302.40 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 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-methoxyphenyl)methanone is sourced from PubChem (CID 2814017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).