2-ethylsulfanyl-6H-cyclohepta[d][1,3]thiazole

C10H11NS2 — CID 143576074

IUPAC2-ethylsulfanyl-6H-cyclohepta[d][1,3]thiazole
SMILESCCSc1nc2c(s1)C=CCC=C2
InChIInChI=1S/C10H11NS2/c1-2-12-10-11-8-6-4-3-5-7-9(8)13-10/h4-7H,2-3H2,1H3
InChIKeyIYFQXDZLHWNRKY-UHFFFAOYSA-N
MW209.34 g/mol
LogP3.69
Rot. Bonds2

About 2-ethylsulfanyl-6H-cyclohepta[d][1,3]thiazole

2-ethylsulfanyl-6H-cyclohepta[d][1,3]thiazole (PubChem CID 143576074) has the molecular formula C10H11NS2 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-ethylsulfanyl-6H-cyclohepta[d][1,3]thiazole.

Molecular Properties

Compound Name2-ethylsulfanyl-6H-cyclohepta[d][1,3]thiazole
PubChem CID143576074
Molecular FormulaC10H11NS2
Molecular Weight209.34 g/mol
Exact Mass209.03
IUPAC Name2-ethylsulfanyl-6H-cyclohepta[d][1,3]thiazole
SMILESCCSc1nc2c(s1)C=CCC=C2
InChIInChI=1S/C10H11NS2/c1-2-12-10-11-8-6-4-3-5-7-9(8)13-10/h4-7H,2-3H2,1H3
InChIKeyIYFQXDZLHWNRKY-UHFFFAOYSA-N
XLogP3.69
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-6H-cyclohepta[d][1,3]thiazole?
The IUPAC name of 2-ethylsulfanyl-6H-cyclohepta[d][1,3]thiazole (CID 143576074) is 2-ethylsulfanyl-6H-cyclohepta[d][1,3]thiazole.
What is the SMILES notation for 2-ethylsulfanyl-6H-cyclohepta[d][1,3]thiazole?
The canonical SMILES for 2-ethylsulfanyl-6H-cyclohepta[d][1,3]thiazole is CCSc1nc2c(s1)C=CCC=C2.
What is the InChIKey of 2-ethylsulfanyl-6H-cyclohepta[d][1,3]thiazole?
The InChIKey is IYFQXDZLHWNRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS2/c1-2-12-10-11-8-6-4-3-5-7-9(8)13-10/h4-7H,2-3H2,1H3.
What are the key properties of 2-ethylsulfanyl-6H-cyclohepta[d][1,3]thiazole?
2-ethylsulfanyl-6H-cyclohepta[d][1,3]thiazole has a molecular weight of 209.34 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-6H-cyclohepta[d][1,3]thiazole is sourced from PubChem (CID 143576074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).