(2S)-1-[(4S)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1,3-thiazolidin-3-yl]-2-methylbutan-1-one

C16H22N2O2S2 — CID 95287129

IUPAC(2S)-1-[(4S)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1,3-thiazolidin-3-yl]-2-methylbutan-1-one
SMILESCC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCc2sccc2C1
InChIInChI=1S/C16H22N2O2S2/c1-3-11(2)15(19)18-10-21-9-13(18)16(20)17-6-4-14-12(8-17)5-7-22-14/h5,7,11,13H,3-4,6,8-10H2,1-2H3/t11-,13+/m0/s1
InChIKeyZXRHLXBBONKOII-WCQYABFASA-N
MW338.50 g/mol
LogP2.58
Rot. Bonds3

About (2S)-1-[(4S)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1,3-thiazolidin-3-yl]-2-methylbutan-1-one

(2S)-1-[(4S)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1,3-thiazolidin-3-yl]-2-methylbutan-1-one (PubChem CID 95287129) has the molecular formula C16H22N2O2S2 and a molecular weight of 338.50 g/mol. Its IUPAC name is (2S)-1-[(4S)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1,3-thiazolidin-3-yl]-2-methylbutan-1-one.

Molecular Properties

Compound Name(2S)-1-[(4S)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1,3-thiazolidin-3-yl]-2-methylbutan-1-one
PubChem CID95287129
Molecular FormulaC16H22N2O2S2
Molecular Weight338.50 g/mol
Exact Mass338.11
IUPAC Name(2S)-1-[(4S)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1,3-thiazolidin-3-yl]-2-methylbutan-1-one
SMILESCC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCc2sccc2C1
InChIInChI=1S/C16H22N2O2S2/c1-3-11(2)15(19)18-10-21-9-13(18)16(20)17-6-4-14-12(8-17)5-7-22-14/h5,7,11,13H,3-4,6,8-10H2,1-2H3/t11-,13+/m0/s1
InChIKeyZXRHLXBBONKOII-WCQYABFASA-N
XLogP2.58
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[(4S)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1,3-thiazolidin-3-yl]-2-methylbutan-1-one 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

3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61187263
1-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]-2-methylbutan-1-one
CID 120806437
(2S)-2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119276838
N-[(2S)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-2-methylpropanamide
CID 52876316
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methoxypropan-1-one
CID 115588170
(2S)-1-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-methylbutan-1-one
CID 94822699
2-(2-aminobutylsulfanyl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 66229432
2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-ethylbutan-1-one
CID 79809401
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119700093
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(pentan-2-ylamino)ethanone
CID 43388505
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2-hydroxyethyl(pentan-3-yl)amino]ethanone
CID 62016465
2-chloro-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]acetamide
CID 146085843

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(4S)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1,3-thiazolidin-3-yl]-2-methylbutan-1-one?
The IUPAC name of (2S)-1-[(4S)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1,3-thiazolidin-3-yl]-2-methylbutan-1-one (CID 95287129) is (2S)-1-[(4S)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1,3-thiazolidin-3-yl]-2-methylbutan-1-one.
What is the SMILES notation for (2S)-1-[(4S)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1,3-thiazolidin-3-yl]-2-methylbutan-1-one?
The canonical SMILES for (2S)-1-[(4S)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1,3-thiazolidin-3-yl]-2-methylbutan-1-one is CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCc2sccc2C1.
What is the InChIKey of (2S)-1-[(4S)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1,3-thiazolidin-3-yl]-2-methylbutan-1-one?
The InChIKey is ZXRHLXBBONKOII-WCQYABFASA-N. The full InChI is InChI=1S/C16H22N2O2S2/c1-3-11(2)15(19)18-10-21-9-13(18)16(20)17-6-4-14-12(8-17)5-7-22-14/h5,7,11,13H,3-4,6,8-10H2,1-2H3/t11-,13+/m0/s1.
What are the key properties of (2S)-1-[(4S)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1,3-thiazolidin-3-yl]-2-methylbutan-1-one?
(2S)-1-[(4S)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1,3-thiazolidin-3-yl]-2-methylbutan-1-one has a molecular weight of 338.50 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(4S)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1,3-thiazolidin-3-yl]-2-methylbutan-1-one is sourced from PubChem (CID 95287129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).