4,5-dimethyl-4,5-dihydro-1,3-thiazole

C5H9NS — CID 18350318

IUPAC4,5-dimethyl-4,5-dihydro-1,3-thiazole
SMILESCC1N=CSC1C
InChIInChI=1S/C5H9NS/c1-4-5(2)7-3-6-4/h3-5H,1-2H3
InChIKeyMQULHHGPCRMEGA-UHFFFAOYSA-N
MW115.20 g/mol
LogP1.54
Rot. Bonds

About 4,5-dimethyl-4,5-dihydro-1,3-thiazole

4,5-dimethyl-4,5-dihydro-1,3-thiazole (PubChem CID 18350318) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is 4,5-dimethyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethyl-4,5-dihydro-1,3-thiazole
PubChem CID18350318
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC Name4,5-dimethyl-4,5-dihydro-1,3-thiazole
SMILESCC1N=CSC1C
InChIInChI=1S/C5H9NS/c1-4-5(2)7-3-6-4/h3-5H,1-2H3
InChIKeyMQULHHGPCRMEGA-UHFFFAOYSA-N
XLogP1.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,5-dimethyl-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 4,5-dimethyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of 4,5-dimethyl-4,5-dihydro-1,3-thiazole (CID 18350318) is 4,5-dimethyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 4,5-dimethyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 4,5-dimethyl-4,5-dihydro-1,3-thiazole is CC1N=CSC1C.
What is the InChIKey of 4,5-dimethyl-4,5-dihydro-1,3-thiazole?
The InChIKey is MQULHHGPCRMEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NS/c1-4-5(2)7-3-6-4/h3-5H,1-2H3.
What are the key properties of 4,5-dimethyl-4,5-dihydro-1,3-thiazole?
4,5-dimethyl-4,5-dihydro-1,3-thiazole has a molecular weight of 115.20 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 18350318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).