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

C15H15N3O2S2 — CID 154564256

IUPAC4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2nccs2)C1)N1CCc2sccc2C1
InChIInChI=1S/C15H15N3O2S2/c19-13-7-11(9-18(13)15-16-3-6-22-15)14(20)17-4-1-12-10(8-17)2-5-21-12/h2-3,5-6,11H,1,4,7-9H2
InChIKeyPKEVIOFLRGYXQQ-UHFFFAOYSA-N
MW333.44 g/mol
LogP2.14
Rot. Bonds2

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

4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one (PubChem CID 154564256) has the molecular formula C15H15N3O2S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one
PubChem CID154564256
Molecular FormulaC15H15N3O2S2
Molecular Weight333.44 g/mol
Exact Mass333.06
IUPAC Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2nccs2)C1)N1CCc2sccc2C1
InChIInChI=1S/C15H15N3O2S2/c19-13-7-11(9-18(13)15-16-3-6-22-15)14(20)17-4-1-12-10(8-17)2-5-21-12/h2-3,5-6,11H,1,4,7-9H2
InChIKeyPKEVIOFLRGYXQQ-UHFFFAOYSA-N
XLogP2.14
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one
CID 97018535
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
CID 154564093
(4R)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 38474545
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
CID 56812849
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
CID 34989712
1-(1,3-benzothiazol-2-yl)-4-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)pyrrolidin-2-one
CID 154820263
2-methyl-4-[1-[5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 154820440
1-(2,3-dimethylphenyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 42930463
(5S)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(2-pyridin-2-ylethyl)piperidin-2-one
CID 42198640
3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 171993509
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone
CID 171993308
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 119700115

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one (CID 154564256) is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one is O=C(C1CC(=O)N(c2nccs2)C1)N1CCc2sccc2C1.
What is the InChIKey of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one?
The InChIKey is PKEVIOFLRGYXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S2/c19-13-7-11(9-18(13)15-16-3-6-22-15)14(20)17-4-1-12-10(8-17)2-5-21-12/h2-3,5-6,11H,1,4,7-9H2.
What are the key properties of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one?
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one has a molecular weight of 333.44 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 154564256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).