2-(cyclohepten-1-yl)-4,5-dihydro-1,3-thiazole

C10H15NS — CID 174841609

IUPAC2-(cyclohepten-1-yl)-4,5-dihydro-1,3-thiazole
SMILESC1=C(C2=NCCS2)CCCCC1
InChIInChI=1S/C10H15NS/c1-2-4-6-9(5-3-1)10-11-7-8-12-10/h5H,1-4,6-8H2
InChIKeyAIIWTDQKWPIPRT-UHFFFAOYSA-N
MW181.30 g/mol
LogP3.02
Rot. Bonds1

About 2-(cyclohepten-1-yl)-4,5-dihydro-1,3-thiazole

2-(cyclohepten-1-yl)-4,5-dihydro-1,3-thiazole (PubChem CID 174841609) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 2-(cyclohepten-1-yl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-(cyclohepten-1-yl)-4,5-dihydro-1,3-thiazole
PubChem CID174841609
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name2-(cyclohepten-1-yl)-4,5-dihydro-1,3-thiazole
SMILESC1=C(C2=NCCS2)CCCCC1
InChIInChI=1S/C10H15NS/c1-2-4-6-9(5-3-1)10-11-7-8-12-10/h5H,1-4,6-8H2
InChIKeyAIIWTDQKWPIPRT-UHFFFAOYSA-N
XLogP3.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(cyclohepten-1-yl)-4,5-dihydro-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 2-(cyclohepten-1-yl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-(cyclohepten-1-yl)-4,5-dihydro-1,3-thiazole (CID 174841609) is 2-(cyclohepten-1-yl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-(cyclohepten-1-yl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-(cyclohepten-1-yl)-4,5-dihydro-1,3-thiazole is C1=C(C2=NCCS2)CCCCC1.
What is the InChIKey of 2-(cyclohepten-1-yl)-4,5-dihydro-1,3-thiazole?
The InChIKey is AIIWTDQKWPIPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-2-4-6-9(5-3-1)10-11-7-8-12-10/h5H,1-4,6-8H2.
What are the key properties of 2-(cyclohepten-1-yl)-4,5-dihydro-1,3-thiazole?
2-(cyclohepten-1-yl)-4,5-dihydro-1,3-thiazole has a molecular weight of 181.30 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohepten-1-yl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 174841609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).