5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-3-ium

C8H12NS+ — CID 144585416

IUPAC5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-3-ium
SMILESc1[nH+]c2c(s1)CCCCC2
InChIInChI=1S/C8H11NS/c1-2-4-7-8(5-3-1)10-6-9-7/h6H,1-5H2/p+1
InChIKeyUMWKPIKCOCKMIH-UHFFFAOYSA-O
MW154.26 g/mol
LogP1.83
Rot. Bonds

About 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-3-ium

5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-3-ium (PubChem CID 144585416) has the molecular formula C8H12NS+ and a molecular weight of 154.26 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-3-ium.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-3-ium
PubChem CID144585416
Molecular FormulaC8H12NS+
Molecular Weight154.26 g/mol
Exact Mass154.07
IUPAC Name5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-3-ium
SMILESc1[nH+]c2c(s1)CCCCC2
InChIInChI=1S/C8H11NS/c1-2-4-7-8(5-3-1)10-6-9-7/h6H,1-5H2/p+1
InChIKeyUMWKPIKCOCKMIH-UHFFFAOYSA-O
XLogP1.83
TPSA14.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-3-ium?
The IUPAC name of 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-3-ium (CID 144585416) is 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-3-ium.
What is the SMILES notation for 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-3-ium?
The canonical SMILES for 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-3-ium is c1[nH+]c2c(s1)CCCCC2.
What is the InChIKey of 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-3-ium?
The InChIKey is UMWKPIKCOCKMIH-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H11NS/c1-2-4-7-8(5-3-1)10-6-9-7/h6H,1-5H2/p+1.
What are the key properties of 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-3-ium?
5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-3-ium has a molecular weight of 154.26 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-3-ium is sourced from PubChem (CID 144585416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).