5H-cyclohepta[d][1,3]thiazole

C8H7NS — CID 123551915

IUPAC5H-cyclohepta[d][1,3]thiazole
SMILESC1=CCC=c2ncsc2=C1
InChIInChI=1S/C8H7NS/c1-2-4-7-8(5-3-1)10-6-9-7/h1,3-6H,2H2
InChIKeyVXNBBQQAVGMQOM-UHFFFAOYSA-N
MW149.22 g/mol
LogP0.66
Rot. Bonds

About 5H-cyclohepta[d][1,3]thiazole

5H-cyclohepta[d][1,3]thiazole (PubChem CID 123551915) has the molecular formula C8H7NS and a molecular weight of 149.22 g/mol. Its IUPAC name is 5H-cyclohepta[d][1,3]thiazole.

Molecular Properties

Compound Name5H-cyclohepta[d][1,3]thiazole
PubChem CID123551915
Molecular FormulaC8H7NS
Molecular Weight149.22 g/mol
Exact Mass149.03
IUPAC Name5H-cyclohepta[d][1,3]thiazole
SMILESC1=CCC=c2ncsc2=C1
InChIInChI=1S/C8H7NS/c1-2-4-7-8(5-3-1)10-6-9-7/h1,3-6H,2H2
InChIKeyVXNBBQQAVGMQOM-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 5H-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

Related Compounds

5H-cyclohepta[d][1,3]thiazol-2-yl thiohypofluorite
CID 142992123
5-fluoro-7-methyl-7H-cyclohepta[d][1,3]thiazole
CID 170757459
(5E)-5-butylidene-4-methylidene-1,3-thiazole
CID 89141823
4-But-2-enylidene-5-methyl-1,3-thiazole
CID 123875180
4-Ethylidene-5-(2-methylprop-2-enylidene)-1,3-thiazole
CID 124006924
(4E,5E)-4,5-di(propylidene)-1,3-thiazole
CID 124189980
7H-cyclohepta[d][1,3]thiazole-7-thiol
CID 130239344
7H-cyclohepta[d][1,3]thiazole
CID 139417008
(4E)-4-[(Z)-2-methylbut-2-enylidene]-5-methylidene-1,3-thiazole
CID 141864711
5,5-Dimethylcyclohepta[d][1,3]thiazole;ethane
CID 141904835
5,5-Dimethylcyclohepta[d][1,3]thiazole
CID 141904836
6-methyl-8aH-cyclohepta[d][1,3]thiazole
CID 141971961

Frequently Asked Questions

What is the IUPAC name of 5H-cyclohepta[d][1,3]thiazole?
The IUPAC name of 5H-cyclohepta[d][1,3]thiazole (CID 123551915) is 5H-cyclohepta[d][1,3]thiazole.
What is the SMILES notation for 5H-cyclohepta[d][1,3]thiazole?
The canonical SMILES for 5H-cyclohepta[d][1,3]thiazole is C1=CCC=c2ncsc2=C1.
What is the InChIKey of 5H-cyclohepta[d][1,3]thiazole?
The InChIKey is VXNBBQQAVGMQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS/c1-2-4-7-8(5-3-1)10-6-9-7/h1,3-6H,2H2.
What are the key properties of 5H-cyclohepta[d][1,3]thiazole?
5H-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 5H-cyclohepta[d][1,3]thiazole is sourced from PubChem (CID 123551915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).