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

C12H12N2OS2 — CID 62757260

IUPAC1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(N2CCc3sccc3C2)s1
InChIInChI=1S/C12H12N2OS2/c1-8(15)11-6-13-12(17-11)14-4-2-10-9(7-14)3-5-16-10/h3,5-6H,2,4,7H2,1H3
InChIKeyDTGZDUPFCRUCJR-UHFFFAOYSA-N
MW264.38 g/mol
LogP2.97
Rot. Bonds2

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

1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]ethanone (PubChem CID 62757260) has the molecular formula C12H12N2OS2 and a molecular weight of 264.38 g/mol. Its IUPAC name is 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]ethanone
PubChem CID62757260
Molecular FormulaC12H12N2OS2
Molecular Weight264.38 g/mol
Exact Mass264.04
IUPAC Name1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(N2CCc3sccc3C2)s1
InChIInChI=1S/C12H12N2OS2/c1-8(15)11-6-13-12(17-11)14-4-2-10-9(7-14)3-5-16-10/h3,5-6H,2,4,7H2,1H3
InChIKeyDTGZDUPFCRUCJR-UHFFFAOYSA-N
XLogP2.97
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanone
CID 62757440
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-propyl-1,3-thiazole-5-carbaldehyde
CID 62764732
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanone
CID 62757449
[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 55117477
methyl 2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3-thiazole-5-carboxylate
CID 80572955
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 62753320
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid
CID 28604312
2-amino-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-4-yl]acetic acid
CID 113423014
N-[[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-methyl-3-pyridinyl]methyl]ethanamine
CID 80629364
methyl 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-4-carboxylate
CID 113220688
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64976301
5-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 71925337

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]ethanone (CID 62757260) is 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]ethanone is CC(=O)c1cnc(N2CCc3sccc3C2)s1.
What is the InChIKey of 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is DTGZDUPFCRUCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS2/c1-8(15)11-6-13-12(17-11)14-4-2-10-9(7-14)3-5-16-10/h3,5-6H,2,4,7H2,1H3.
What are the key properties of 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]ethanone?
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 264.38 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 62757260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).