2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

C16H20N2OS — CID 60721342

IUPAC2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)CN2CCc3sccc3C2)c(C)n1C
InChIInChI=1S/C16H20N2OS/c1-11-8-14(12(2)17(11)3)15(19)10-18-6-4-16-13(9-18)5-7-20-16/h5,7-8H,4,6,9-10H2,1-3H3
InChIKeyPKVJMVXWNXBPKC-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.94
Rot. Bonds3

About 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone (PubChem CID 60721342) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
PubChem CID60721342
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)CN2CCc3sccc3C2)c(C)n1C
InChIInChI=1S/C16H20N2OS/c1-11-8-14(12(2)17(11)3)15(19)10-18-6-4-16-13(9-18)5-7-20-16/h5,7-8H,4,6,9-10H2,1-3H3
InChIKeyPKVJMVXWNXBPKC-UHFFFAOYSA-N
XLogP2.94
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 62023511
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(4-propan-2-ylphenyl)ethanone
CID 62023323
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 63025041
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide
CID 47139831
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-phenylpropan-2-one
CID 62023515
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethylpropanoic acid
CID 62272475
2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 2464194
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 8693841
1-(4-bromo-2-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 82777403
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 26575757
5-(2-chloroprop-2-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 130636672
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 41361454

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone (CID 60721342) is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone is Cc1cc(C(=O)CN2CCc3sccc3C2)c(C)n1C.
What is the InChIKey of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The InChIKey is PKVJMVXWNXBPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11-8-14(12(2)17(11)3)15(19)10-18-6-4-16-13(9-18)5-7-20-16/h5,7-8H,4,6,9-10H2,1-3H3.
What are the key properties of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone has a molecular weight of 288.42 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone is sourced from PubChem (CID 60721342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).