6-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl)-3H-1,3-benzoxazol-2-one

C15H11NO3S2 — CID 81265918

IUPAC6-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl)-3H-1,3-benzoxazol-2-one
SMILESO=C(c1ccc2[nH]c(=O)oc2c1)c1cc2c(s1)CCSC2
InChIInChI=1S/C15H11NO3S2/c17-14(13-6-9-7-20-4-3-12(9)21-13)8-1-2-10-11(5-8)19-15(18)16-10/h1-2,5-6H,3-4,7H2,(H,16,18)
InChIKeyAVXFGACZXNSPHN-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.20
Rot. Bonds2

About 6-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl)-3H-1,3-benzoxazol-2-one

6-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl)-3H-1,3-benzoxazol-2-one (PubChem CID 81265918) has the molecular formula C15H11NO3S2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 6-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl)-3H-1,3-benzoxazol-2-one
PubChem CID81265918
Molecular FormulaC15H11NO3S2
Molecular Weight317.39 g/mol
Exact Mass317.02
IUPAC Name6-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl)-3H-1,3-benzoxazol-2-one
SMILESO=C(c1ccc2[nH]c(=O)oc2c1)c1cc2c(s1)CCSC2
InChIInChI=1S/C15H11NO3S2/c17-14(13-6-9-7-20-4-3-12(9)21-13)8-1-2-10-11(5-8)19-15(18)16-10/h1-2,5-6H,3-4,7H2,(H,16,18)
InChIKeyAVXFGACZXNSPHN-UHFFFAOYSA-N
XLogP3.20
TPSA63.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl)-3H-1,3-benzoxazol-2-one (CID 81265918) is 6-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl)-3H-1,3-benzoxazol-2-one is O=C(c1ccc2[nH]c(=O)oc2c1)c1cc2c(s1)CCSC2.
What is the InChIKey of 6-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl)-3H-1,3-benzoxazol-2-one?
The InChIKey is AVXFGACZXNSPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3S2/c17-14(13-6-9-7-20-4-3-12(9)21-13)8-1-2-10-11(5-8)19-15(18)16-10/h1-2,5-6H,3-4,7H2,(H,16,18).
What are the key properties of 6-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl)-3H-1,3-benzoxazol-2-one?
6-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl)-3H-1,3-benzoxazol-2-one has a molecular weight of 317.39 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 81265918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).