2-methyl-1-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one

C18H21NOS — CID 3956546

IUPAC2-methyl-1-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
SMILESCc1ccccc1C1c2ccsc2CCN1C(=O)C(C)C
InChIInChI=1S/C18H21NOS/c1-12(2)18(20)19-10-8-16-15(9-11-21-16)17(19)14-7-5-4-6-13(14)3/h4-7,9,11-12,17H,8,10H2,1-3H3
InChIKeyBYPOJSFEPIWYPN-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.19
Rot. Bonds2

About 2-methyl-1-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one

2-methyl-1-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one (PubChem CID 3956546) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-methyl-1-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
PubChem CID3956546
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC Name2-methyl-1-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
SMILESCc1ccccc1C1c2ccsc2CCN1C(=O)C(C)C
InChIInChI=1S/C18H21NOS/c1-12(2)18(20)19-10-8-16-15(9-11-21-16)17(19)14-7-5-4-6-13(14)3/h4-7,9,11-12,17H,8,10H2,1-3H3
InChIKeyBYPOJSFEPIWYPN-UHFFFAOYSA-N
XLogP4.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one (CID 3956546) is 2-methyl-1-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one is Cc1ccccc1C1c2ccsc2CCN1C(=O)C(C)C.
What is the InChIKey of 2-methyl-1-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one?
The InChIKey is BYPOJSFEPIWYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-12(2)18(20)19-10-8-16-15(9-11-21-16)17(19)14-7-5-4-6-13(14)3/h4-7,9,11-12,17H,8,10H2,1-3H3.
What are the key properties of 2-methyl-1-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one?
2-methyl-1-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one has a molecular weight of 299.44 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one is sourced from PubChem (CID 3956546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).