3,5-dimethyl-1,2-thiazole

C5H7NS — CID 574809

IUPAC3,5-dimethyl-1,2-thiazole
SMILESCc1cc(C)sn1
InChIInChI=1S/C5H7NS/c1-4-3-5(2)7-6-4/h3H,1-2H3
InChIKeyBAEACXLWSZGCAZ-UHFFFAOYSA-N
MW113.18 g/mol
LogP1.76
Rot. Bonds

About 3,5-dimethyl-1,2-thiazole

3,5-dimethyl-1,2-thiazole (PubChem CID 574809) has the molecular formula C5H7NS and a molecular weight of 113.18 g/mol. Its IUPAC name is 3,5-dimethyl-1,2-thiazole.

Molecular Properties

Compound Name3,5-dimethyl-1,2-thiazole
PubChem CID574809
Molecular FormulaC5H7NS
Molecular Weight113.18 g/mol
Exact Mass113.03
IUPAC Name3,5-dimethyl-1,2-thiazole
SMILESCc1cc(C)sn1
InChIInChI=1S/C5H7NS/c1-4-3-5(2)7-6-4/h3H,1-2H3
InChIKeyBAEACXLWSZGCAZ-UHFFFAOYSA-N
XLogP1.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.18
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,2-thiazole?
The IUPAC name of 3,5-dimethyl-1,2-thiazole (CID 574809) is 3,5-dimethyl-1,2-thiazole.
What is the SMILES notation for 3,5-dimethyl-1,2-thiazole?
The canonical SMILES for 3,5-dimethyl-1,2-thiazole is Cc1cc(C)sn1.
What is the InChIKey of 3,5-dimethyl-1,2-thiazole?
The InChIKey is BAEACXLWSZGCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS/c1-4-3-5(2)7-6-4/h3H,1-2H3.
What are the key properties of 3,5-dimethyl-1,2-thiazole?
3,5-dimethyl-1,2-thiazole has a molecular weight of 113.18 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,2-thiazole is sourced from PubChem (CID 574809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).