2-benzylsulfanyl-4H-indeno[1,2-d][1,3]thiazol-5-ol

C17H13NOS2 — CID 67589970

IUPAC2-benzylsulfanyl-4H-indeno[1,2-d][1,3]thiazol-5-ol
SMILESOc1cccc2c1Cc1sc(SCc3ccccc3)nc1-2
InChIInChI=1S/C17H13NOS2/c19-14-8-4-7-12-13(14)9-15-16(12)18-17(21-15)20-10-11-5-2-1-3-6-11/h1-8,19H,9-10H2
InChIKeyIALDFDRLQUHFBO-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.71
Rot. Bonds3

About 2-benzylsulfanyl-4H-indeno[1,2-d][1,3]thiazol-5-ol

2-benzylsulfanyl-4H-indeno[1,2-d][1,3]thiazol-5-ol (PubChem CID 67589970) has the molecular formula C17H13NOS2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-benzylsulfanyl-4H-indeno[1,2-d][1,3]thiazol-5-ol.

Molecular Properties

Compound Name2-benzylsulfanyl-4H-indeno[1,2-d][1,3]thiazol-5-ol
PubChem CID67589970
Molecular FormulaC17H13NOS2
Molecular Weight311.43 g/mol
Exact Mass311.04
IUPAC Name2-benzylsulfanyl-4H-indeno[1,2-d][1,3]thiazol-5-ol
SMILESOc1cccc2c1Cc1sc(SCc3ccccc3)nc1-2
InChIInChI=1S/C17H13NOS2/c19-14-8-4-7-12-13(14)9-15-16(12)18-17(21-15)20-10-11-5-2-1-3-6-11/h1-8,19H,9-10H2
InChIKeyIALDFDRLQUHFBO-UHFFFAOYSA-N
XLogP4.71
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-4H-indeno[1,2-d][1,3]thiazol-5-ol?
The IUPAC name of 2-benzylsulfanyl-4H-indeno[1,2-d][1,3]thiazol-5-ol (CID 67589970) is 2-benzylsulfanyl-4H-indeno[1,2-d][1,3]thiazol-5-ol.
What is the SMILES notation for 2-benzylsulfanyl-4H-indeno[1,2-d][1,3]thiazol-5-ol?
The canonical SMILES for 2-benzylsulfanyl-4H-indeno[1,2-d][1,3]thiazol-5-ol is Oc1cccc2c1Cc1sc(SCc3ccccc3)nc1-2.
What is the InChIKey of 2-benzylsulfanyl-4H-indeno[1,2-d][1,3]thiazol-5-ol?
The InChIKey is IALDFDRLQUHFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NOS2/c19-14-8-4-7-12-13(14)9-15-16(12)18-17(21-15)20-10-11-5-2-1-3-6-11/h1-8,19H,9-10H2.
What are the key properties of 2-benzylsulfanyl-4H-indeno[1,2-d][1,3]thiazol-5-ol?
2-benzylsulfanyl-4H-indeno[1,2-d][1,3]thiazol-5-ol has a molecular weight of 311.43 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-4H-indeno[1,2-d][1,3]thiazol-5-ol is sourced from PubChem (CID 67589970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).