5,7,7-trimethylcyclohepta[d][1,3]thiazole

C11H13NS — CID 142240545

IUPAC5,7,7-trimethylcyclohepta[d][1,3]thiazole
SMILESCC1=CC(C)(C)C=c2scnc2=C1
InChIInChI=1S/C11H13NS/c1-8-4-9-10(13-7-12-9)6-11(2,3)5-8/h4-7H,1-3H3
InChIKeyXPCRQGLHDRKCJV-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.69
Rot. Bonds

About 5,7,7-trimethylcyclohepta[d][1,3]thiazole

5,7,7-trimethylcyclohepta[d][1,3]thiazole (PubChem CID 142240545) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is 5,7,7-trimethylcyclohepta[d][1,3]thiazole.

Molecular Properties

Compound Name5,7,7-trimethylcyclohepta[d][1,3]thiazole
PubChem CID142240545
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Name5,7,7-trimethylcyclohepta[d][1,3]thiazole
SMILESCC1=CC(C)(C)C=c2scnc2=C1
InChIInChI=1S/C11H13NS/c1-8-4-9-10(13-7-12-9)6-11(2,3)5-8/h4-7H,1-3H3
InChIKeyXPCRQGLHDRKCJV-UHFFFAOYSA-N
XLogP1.69
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,7,7-trimethylcyclohepta[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

7-methyl-5-(trifluoromethyl)-7H-cyclohepta[d][1,3]thiazole
CID 170756234
5-Fluoro-7-methyl-7-propan-2-ylcyclohepta[d][1,3]thiazole
CID 170756304
5-fluoro-7-methyl-7H-cyclohepta[d][1,3]thiazole
CID 170757459
7-Ethyl-5-fluoro-7-methylcyclohepta[d][1,3]thiazole
CID 170755443
7-methyl-5H-1,3-benzothiazol-5-ide;vanadium
CID 58775459
(5E)-5-butylidene-4-methylidene-1,3-thiazole
CID 89141823
(5Z,7Z)-7-methyl-4-methylidene-9H-1,3-thiazonine
CID 89832477
(5Z,7Z)-6,7-dimethyl-4-methylidene-9H-1,3-thiazonine
CID 89891585
5H-cyclohepta[d][1,3]thiazole
CID 123551915
4-Ethylidene-5-(2-methylprop-2-enylidene)-1,3-thiazole
CID 124006924
4-(3-Methylbut-2-enylidene)-5-methylidene-1,3-thiazole
CID 124009275
(4E,5E)-4,5-di(propylidene)-1,3-thiazole
CID 124189980

Frequently Asked Questions

What is the IUPAC name of 5,7,7-trimethylcyclohepta[d][1,3]thiazole?
The IUPAC name of 5,7,7-trimethylcyclohepta[d][1,3]thiazole (CID 142240545) is 5,7,7-trimethylcyclohepta[d][1,3]thiazole.
What is the SMILES notation for 5,7,7-trimethylcyclohepta[d][1,3]thiazole?
The canonical SMILES for 5,7,7-trimethylcyclohepta[d][1,3]thiazole is CC1=CC(C)(C)C=c2scnc2=C1.
What is the InChIKey of 5,7,7-trimethylcyclohepta[d][1,3]thiazole?
The InChIKey is XPCRQGLHDRKCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS/c1-8-4-9-10(13-7-12-9)6-11(2,3)5-8/h4-7H,1-3H3.
What are the key properties of 5,7,7-trimethylcyclohepta[d][1,3]thiazole?
5,7,7-trimethylcyclohepta[d][1,3]thiazole has a molecular weight of 191.30 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,7-trimethylcyclohepta[d][1,3]thiazole is sourced from PubChem (CID 142240545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).