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

C16H15BrClNOS — CID 82777403

IUPAC1-(4-bromo-2-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
SMILESO=C(CCN1CCc2sccc2C1)c1ccc(Br)cc1Cl
InChIInChI=1S/C16H15BrClNOS/c17-12-1-2-13(14(18)9-12)15(20)3-6-19-7-4-16-11(10-19)5-8-21-16/h1-2,5,8-9H,3-4,6-7,10H2
InChIKeyANRFOILUBBOEIF-UHFFFAOYSA-N
MW384.73 g/mol
LogP4.80
Rot. Bonds4

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

1-(4-bromo-2-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one (PubChem CID 82777403) has the molecular formula C16H15BrClNOS and a molecular weight of 384.73 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
PubChem CID82777403
Molecular FormulaC16H15BrClNOS
Molecular Weight384.73 g/mol
Exact Mass382.97
IUPAC Name1-(4-bromo-2-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
SMILESO=C(CCN1CCc2sccc2C1)c1ccc(Br)cc1Cl
InChIInChI=1S/C16H15BrClNOS/c17-12-1-2-13(14(18)9-12)15(20)3-6-19-7-4-16-11(10-19)5-8-21-16/h1-2,5,8-9H,3-4,6-7,10H2
InChIKeyANRFOILUBBOEIF-UHFFFAOYSA-N
XLogP4.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.73
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-chlorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 82779231
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CID 82775888
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 60721342
1-(4-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 62023511
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CID 56816880
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CID 36697872
5-(2,2-dimethylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 176622093
2-chloro-N'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]benzohydrazide
CID 18138052
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-naphthalen-1-ylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one (CID 82777403) is 1-(4-bromo-2-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one is O=C(CCN1CCc2sccc2C1)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one?
The InChIKey is ANRFOILUBBOEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNOS/c17-12-1-2-13(14(18)9-12)15(20)3-6-19-7-4-16-11(10-19)5-8-21-16/h1-2,5,8-9H,3-4,6-7,10H2.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one?
1-(4-bromo-2-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one has a molecular weight of 384.73 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one is sourced from PubChem (CID 82777403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).