7H-cyclohepta[d][1,3]thiazole

C8H7NS — CID 139417008

IUPAC7H-cyclohepta[d][1,3]thiazole
SMILESC1=CCC=c2scnc2=C1
InChIInChI=1S/C8H7NS/c1-2-4-7-8(5-3-1)10-6-9-7/h1-2,4-6H,3H2
InChIKeyZVEMYYWJTBSMNI-UHFFFAOYSA-N
MW149.22 g/mol
LogP0.66
Rot. Bonds

About 7H-cyclohepta[d][1,3]thiazole

7H-cyclohepta[d][1,3]thiazole (PubChem CID 139417008) has the molecular formula C8H7NS and a molecular weight of 149.22 g/mol. Its IUPAC name is 7H-cyclohepta[d][1,3]thiazole.

Molecular Properties

Compound Name7H-cyclohepta[d][1,3]thiazole
PubChem CID139417008
Molecular FormulaC8H7NS
Molecular Weight149.22 g/mol
Exact Mass149.03
IUPAC Name7H-cyclohepta[d][1,3]thiazole
SMILESC1=CCC=c2scnc2=C1
InChIInChI=1S/C8H7NS/c1-2-4-7-8(5-3-1)10-6-9-7/h1-2,4-6H,3H2
InChIKeyZVEMYYWJTBSMNI-UHFFFAOYSA-N
XLogP0.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7H-cyclohepta[d][1,3]thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7H-cyclohepta[d][1,3]thiazole?
The IUPAC name of 7H-cyclohepta[d][1,3]thiazole (CID 139417008) is 7H-cyclohepta[d][1,3]thiazole.
What is the SMILES notation for 7H-cyclohepta[d][1,3]thiazole?
The canonical SMILES for 7H-cyclohepta[d][1,3]thiazole is C1=CCC=c2scnc2=C1.
What is the InChIKey of 7H-cyclohepta[d][1,3]thiazole?
The InChIKey is ZVEMYYWJTBSMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS/c1-2-4-7-8(5-3-1)10-6-9-7/h1-2,4-6H,3H2.
What are the key properties of 7H-cyclohepta[d][1,3]thiazole?
7H-cyclohepta[d][1,3]thiazole has a molecular weight of 149.22 g/mol, XLogP of 0.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-cyclohepta[d][1,3]thiazole is sourced from PubChem (CID 139417008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).