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

C17H18BrNOS — CID 62630719

IUPAC1-(2-bromophenyl)-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
SMILESCC1c2ccsc2CCN1CCC(=O)c1ccccc1Br
InChIInChI=1S/C17H18BrNOS/c1-12-13-8-11-21-17(13)7-10-19(12)9-6-16(20)14-4-2-3-5-15(14)18/h2-5,8,11-12H,6-7,9-10H2,1H3
InChIKeyLQFLRXOJVBFTMQ-UHFFFAOYSA-N
MW364.31 g/mol
LogP4.70
Rot. Bonds4

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

1-(2-bromophenyl)-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one (PubChem CID 62630719) has the molecular formula C17H18BrNOS and a molecular weight of 364.31 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
PubChem CID62630719
Molecular FormulaC17H18BrNOS
Molecular Weight364.31 g/mol
Exact Mass363.03
IUPAC Name1-(2-bromophenyl)-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
SMILESCC1c2ccsc2CCN1CCC(=O)c1ccccc1Br
InChIInChI=1S/C17H18BrNOS/c1-12-13-8-11-21-17(13)7-10-19(12)9-6-16(20)14-4-2-3-5-15(14)18/h2-5,8,11-12H,6-7,9-10H2,1H3
InChIKeyLQFLRXOJVBFTMQ-UHFFFAOYSA-N
XLogP4.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanehydrazide
CID 63585229
2-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline
CID 55079205
phenyl 2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanesulfonate
CID 32973870
2-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]aniline
CID 107274405
5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentanimidamide
CID 55010853
1-(4-bromophenyl)-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-ol
CID 62619347
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(2-bromophenyl)propan-1-one
CID 62629530
ethyl 2-[[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzoate
CID 8999990
ethyl 2-[[2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzoate
CID 8999987
1-(2-bromophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one
CID 81212923
N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propan-2-ylacetamide
CID 102555946
(2,4-dibromophenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 107952195

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one?
The IUPAC name of 1-(2-bromophenyl)-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one (CID 62630719) is 1-(2-bromophenyl)-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one.
What is the SMILES notation for 1-(2-bromophenyl)-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one?
The canonical SMILES for 1-(2-bromophenyl)-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one is CC1c2ccsc2CCN1CCC(=O)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one?
The InChIKey is LQFLRXOJVBFTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNOS/c1-12-13-8-11-21-17(13)7-10-19(12)9-6-16(20)14-4-2-3-5-15(14)18/h2-5,8,11-12H,6-7,9-10H2,1H3.
What are the key properties of 1-(2-bromophenyl)-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one?
1-(2-bromophenyl)-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one has a molecular weight of 364.31 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one is sourced from PubChem (CID 62630719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).