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

C22H18N2O3S2 — CID 58169044

IUPAC2-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-1-(furan-2-yl)ethanone
SMILESCC(=O)N1CCc2c(sc(CC(=O)c3ccco3)c2-c2nc3ccccc3s2)C1
InChIInChI=1S/C22H18N2O3S2/c1-13(25)24-9-8-14-20(12-24)28-19(11-16(26)17-6-4-10-27-17)21(14)22-23-15-5-2-3-7-18(15)29-22/h2-7,10H,8-9,11-12H2,1H3
InChIKeyFFNQCWFARXCMQO-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.95
Rot. Bonds4

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

2-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-1-(furan-2-yl)ethanone (PubChem CID 58169044) has the molecular formula C22H18N2O3S2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-1-(furan-2-yl)ethanone.

Molecular Properties

Compound Name2-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-1-(furan-2-yl)ethanone
PubChem CID58169044
Molecular FormulaC22H18N2O3S2
Molecular Weight422.53 g/mol
Exact Mass422.08
IUPAC Name2-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-1-(furan-2-yl)ethanone
SMILESCC(=O)N1CCc2c(sc(CC(=O)c3ccco3)c2-c2nc3ccccc3s2)C1
InChIInChI=1S/C22H18N2O3S2/c1-13(25)24-9-8-14-20(12-24)28-19(11-16(26)17-6-4-10-27-17)21(14)22-23-15-5-2-3-7-18(15)29-22/h2-7,10H,8-9,11-12H2,1H3
InChIKeyFFNQCWFARXCMQO-UHFFFAOYSA-N
XLogP4.95
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-1-(furan-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(4-fluorophenyl)sulfanylpropan-2-one
CID 58169090
N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(3-methylphenyl)acetamide
CID 43950790
2-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-1-thiophen-2-ylethanone
CID 58169080
N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(4-chlorophenyl)sulfanylacetamide
CID 41151935
2-amino-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid
CID 89439622
N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-butylcyclohexane-1-carboxamide
CID 43950773
N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3,4-diethoxybenzamide
CID 43950776
1-[3-(1,3-benzothiazol-2-yl)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone
CID 43968600
N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide
CID 40888830
tert-butyl 3-(1,3-benzothiazol-2-yl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 3-(1,3-benzothiazol-2-yl)-2-(2-oxobut-3-enyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;3-chloropropanoyl chloride
CID 161128597
N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 43950768
N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-(benzenesulfonamido)benzamide
CID 121043646

Frequently Asked Questions

What is the IUPAC name of 2-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-1-(furan-2-yl)ethanone?
The IUPAC name of 2-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-1-(furan-2-yl)ethanone (CID 58169044) is 2-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-1-(furan-2-yl)ethanone.
What is the SMILES notation for 2-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-1-(furan-2-yl)ethanone?
The canonical SMILES for 2-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-1-(furan-2-yl)ethanone is CC(=O)N1CCc2c(sc(CC(=O)c3ccco3)c2-c2nc3ccccc3s2)C1.
What is the InChIKey of 2-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-1-(furan-2-yl)ethanone?
The InChIKey is FFNQCWFARXCMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3S2/c1-13(25)24-9-8-14-20(12-24)28-19(11-16(26)17-6-4-10-27-17)21(14)22-23-15-5-2-3-7-18(15)29-22/h2-7,10H,8-9,11-12H2,1H3.
What are the key properties of 2-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-1-(furan-2-yl)ethanone?
2-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-1-(furan-2-yl)ethanone has a molecular weight of 422.53 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-1-(furan-2-yl)ethanone is sourced from PubChem (CID 58169044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).