3,4,5-trimethyl-1,2-thiazole

C6H9NS — CID 581460

IUPAC3,4,5-trimethyl-1,2-thiazole
SMILESCc1nsc(C)c1C
InChIInChI=1S/C6H9NS/c1-4-5(2)7-8-6(4)3/h1-3H3
InChIKeyGGRRWFKQGMXXQS-UHFFFAOYSA-N
MW127.21 g/mol
LogP2.07
Rot. Bonds

About 3,4,5-trimethyl-1,2-thiazole

3,4,5-trimethyl-1,2-thiazole (PubChem CID 581460) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is 3,4,5-trimethyl-1,2-thiazole.

Molecular Properties

Compound Name3,4,5-trimethyl-1,2-thiazole
PubChem CID581460
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC Name3,4,5-trimethyl-1,2-thiazole
SMILESCc1nsc(C)c1C
InChIInChI=1S/C6H9NS/c1-4-5(2)7-8-6(4)3/h1-3H3
InChIKeyGGRRWFKQGMXXQS-UHFFFAOYSA-N
XLogP2.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethyl-1,2-thiazole?
The IUPAC name of 3,4,5-trimethyl-1,2-thiazole (CID 581460) is 3,4,5-trimethyl-1,2-thiazole.
What is the SMILES notation for 3,4,5-trimethyl-1,2-thiazole?
The canonical SMILES for 3,4,5-trimethyl-1,2-thiazole is Cc1nsc(C)c1C.
What is the InChIKey of 3,4,5-trimethyl-1,2-thiazole?
The InChIKey is GGRRWFKQGMXXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS/c1-4-5(2)7-8-6(4)3/h1-3H3.
What are the key properties of 3,4,5-trimethyl-1,2-thiazole?
3,4,5-trimethyl-1,2-thiazole has a molecular weight of 127.21 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethyl-1,2-thiazole is sourced from PubChem (CID 581460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).