2,4-dimethyl-3H-1,2-thiazole

C5H9NS — CID 89118035

IUPAC2,4-dimethyl-3H-1,2-thiazole
SMILESCC1=CSN(C)C1
InChIInChI=1S/C5H9NS/c1-5-3-6(2)7-4-5/h4H,3H2,1-2H3
InChIKeyWHFVNYXQPFIKEZ-UHFFFAOYSA-N
MW115.20 g/mol
LogP1.48
Rot. Bonds

About 2,4-dimethyl-3H-1,2-thiazole

2,4-dimethyl-3H-1,2-thiazole (PubChem CID 89118035) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is 2,4-dimethyl-3H-1,2-thiazole.

Molecular Properties

Compound Name2,4-dimethyl-3H-1,2-thiazole
PubChem CID89118035
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC Name2,4-dimethyl-3H-1,2-thiazole
SMILESCC1=CSN(C)C1
InChIInChI=1S/C5H9NS/c1-5-3-6(2)7-4-5/h4H,3H2,1-2H3
InChIKeyWHFVNYXQPFIKEZ-UHFFFAOYSA-N
XLogP1.48
TPSA3.24 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 ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3H-1,2-thiazole?
The IUPAC name of 2,4-dimethyl-3H-1,2-thiazole (CID 89118035) is 2,4-dimethyl-3H-1,2-thiazole.
What is the SMILES notation for 2,4-dimethyl-3H-1,2-thiazole?
The canonical SMILES for 2,4-dimethyl-3H-1,2-thiazole is CC1=CSN(C)C1.
What is the InChIKey of 2,4-dimethyl-3H-1,2-thiazole?
The InChIKey is WHFVNYXQPFIKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NS/c1-5-3-6(2)7-4-5/h4H,3H2,1-2H3.
What are the key properties of 2,4-dimethyl-3H-1,2-thiazole?
2,4-dimethyl-3H-1,2-thiazole has a molecular weight of 115.20 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3H-1,2-thiazole is sourced from PubChem (CID 89118035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).