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

C6H11NS — CID 21145236

IUPAC3,4,5-trimethyl-2H-1,3-thiazole
SMILESCC1=C(C)N(C)CS1
InChIInChI=1S/C6H11NS/c1-5-6(2)8-4-7(5)3/h4H2,1-3H3
InChIKeyHYHVOKHQQQYJJO-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.87
Rot. Bonds

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

3,4,5-trimethyl-2H-1,3-thiazole (PubChem CID 21145236) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 3,4,5-trimethyl-2H-1,3-thiazole.

Molecular Properties

Compound Name3,4,5-trimethyl-2H-1,3-thiazole
PubChem CID21145236
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name3,4,5-trimethyl-2H-1,3-thiazole
SMILESCC1=C(C)N(C)CS1
InChIInChI=1S/C6H11NS/c1-5-6(2)8-4-7(5)3/h4H2,1-3H3
InChIKeyHYHVOKHQQQYJJO-UHFFFAOYSA-N
XLogP1.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.87
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-2H-1,3-thiazole?
The IUPAC name of 3,4,5-trimethyl-2H-1,3-thiazole (CID 21145236) is 3,4,5-trimethyl-2H-1,3-thiazole.
What is the SMILES notation for 3,4,5-trimethyl-2H-1,3-thiazole?
The canonical SMILES for 3,4,5-trimethyl-2H-1,3-thiazole is CC1=C(C)N(C)CS1.
What is the InChIKey of 3,4,5-trimethyl-2H-1,3-thiazole?
The InChIKey is HYHVOKHQQQYJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-5-6(2)8-4-7(5)3/h4H2,1-3H3.
What are the key properties of 3,4,5-trimethyl-2H-1,3-thiazole?
3,4,5-trimethyl-2H-1,3-thiazole has a molecular weight of 129.23 g/mol, XLogP of 1.87, 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-2H-1,3-thiazole is sourced from PubChem (CID 21145236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).