1,1,2-trimethyl-1,3-thiazole

C6H11NS — CID 57478709

IUPAC1,1,2-trimethyl-1,3-thiazole
SMILESCC1=NC=CS1(C)C
InChIInChI=1S/C6H11NS/c1-6-7-4-5-8(6,2)3/h4-5H,1-3H3
InChIKeyMTRNLZVREKOSRW-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.95
Rot. Bonds

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

1,1,2-trimethyl-1,3-thiazole (PubChem CID 57478709) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 1,1,2-trimethyl-1,3-thiazole.

Molecular Properties

Compound Name1,1,2-trimethyl-1,3-thiazole
PubChem CID57478709
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name1,1,2-trimethyl-1,3-thiazole
SMILESCC1=NC=CS1(C)C
InChIInChI=1S/C6H11NS/c1-6-7-4-5-8(6,2)3/h4-5H,1-3H3
InChIKeyMTRNLZVREKOSRW-UHFFFAOYSA-N
XLogP1.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethyl-1,3-thiazole?
The IUPAC name of 1,1,2-trimethyl-1,3-thiazole (CID 57478709) is 1,1,2-trimethyl-1,3-thiazole.
What is the SMILES notation for 1,1,2-trimethyl-1,3-thiazole?
The canonical SMILES for 1,1,2-trimethyl-1,3-thiazole is CC1=NC=CS1(C)C.
What is the InChIKey of 1,1,2-trimethyl-1,3-thiazole?
The InChIKey is MTRNLZVREKOSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-6-7-4-5-8(6,2)3/h4-5H,1-3H3.
What are the key properties of 1,1,2-trimethyl-1,3-thiazole?
1,1,2-trimethyl-1,3-thiazole has a molecular weight of 129.23 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethyl-1,3-thiazole is sourced from PubChem (CID 57478709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).