1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(1-methylimidazol-2-yl)ethanone

C13H14N2OS2 — CID 115784450

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(1-methylimidazol-2-yl)ethanone
SMILESCn1ccnc1CC(=O)c1cc2c(s1)CCSC2
InChIInChI=1S/C13H14N2OS2/c1-15-4-3-14-13(15)7-10(16)12-6-9-8-17-5-2-11(9)18-12/h3-4,6H,2,5,7-8H2,1H3
InChIKeyKMJCZAIPVQTBOF-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.70
Rot. Bonds3

About 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(1-methylimidazol-2-yl)ethanone

1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(1-methylimidazol-2-yl)ethanone (PubChem CID 115784450) has the molecular formula C13H14N2OS2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(1-methylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(1-methylimidazol-2-yl)ethanone
PubChem CID115784450
Molecular FormulaC13H14N2OS2
Molecular Weight278.40 g/mol
Exact Mass278.05
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(1-methylimidazol-2-yl)ethanone
SMILESCn1ccnc1CC(=O)c1cc2c(s1)CCSC2
InChIInChI=1S/C13H14N2OS2/c1-15-4-3-14-13(15)7-10(16)12-6-9-8-17-5-2-11(9)18-12/h3-4,6H,2,5,7-8H2,1H3
InChIKeyKMJCZAIPVQTBOF-UHFFFAOYSA-N
XLogP2.70
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-methoxyethanone
CID 115783386
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784807
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(2-fluorophenyl)ethanone
CID 81261552
2-(2,4-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone
CID 81261384
1-(5-chlorothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784458
1-(5-bromothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 112731562
2-(1,3-benzoxazol-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone
CID 81266740
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl chloride
CID 81260755
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-phenylpropan-1-one
CID 114962869
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(1-methylimidazol-2-yl)methanamine
CID 81261856
2-(3-chloro-2-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone
CID 102865691
N-[(2R)-1-hydroxybutan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 113351917

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(1-methylimidazol-2-yl)ethanone?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(1-methylimidazol-2-yl)ethanone (CID 115784450) is 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(1-methylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(1-methylimidazol-2-yl)ethanone?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(1-methylimidazol-2-yl)ethanone is Cn1ccnc1CC(=O)c1cc2c(s1)CCSC2.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(1-methylimidazol-2-yl)ethanone?
The InChIKey is KMJCZAIPVQTBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS2/c1-15-4-3-14-13(15)7-10(16)12-6-9-8-17-5-2-11(9)18-12/h3-4,6H,2,5,7-8H2,1H3.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(1-methylimidazol-2-yl)ethanone?
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(1-methylimidazol-2-yl)ethanone has a molecular weight of 278.40 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(1-methylimidazol-2-yl)ethanone is sourced from PubChem (CID 115784450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).