3,5-dimethyl-1,2-thiazole;methane

C6H11NS — CID 161133287

IUPAC3,5-dimethyl-1,2-thiazole;methane
SMILESC.Cc1cc(C)sn1
InChIInChI=1S/C5H7NS.CH4/c1-4-3-5(2)7-6-4;/h3H,1-2H3;1H4
InChIKeyUMLZQMXSIQGPJS-UHFFFAOYSA-N
MW129.23 g/mol
LogP2.40
Rot. Bonds

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

3,5-dimethyl-1,2-thiazole;methane (PubChem CID 161133287) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 3,5-dimethyl-1,2-thiazole;methane.

Molecular Properties

Compound Name3,5-dimethyl-1,2-thiazole;methane
PubChem CID161133287
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name3,5-dimethyl-1,2-thiazole;methane
SMILESC.Cc1cc(C)sn1
InChIInChI=1S/C5H7NS.CH4/c1-4-3-5(2)7-6-4;/h3H,1-2H3;1H4
InChIKeyUMLZQMXSIQGPJS-UHFFFAOYSA-N
XLogP2.40
TPSA12.89 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 ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methyl-1,2-thiazole-5-carbonitrile
CID 19738255
(3-Methyl-1,2-thiazol-5-yl)methanamine
CID 55289034
3,5-Dimethylisothiazole
CID 574809
5-(Chloromethyl)-3-methyl-1,2-thiazole hydrochloride
CID 134690923
3-(Bromomethyl)-5-methyl-1,2-thiazole
CID 130713297
5-(Chloromethyl)-3-methyl-1,2-thiazole
CID 14791284
3-Methyl-5-(2,2,2-trifluoroethyl)-1,2-thiazole
CID 53934803
5-(4,4-Difluorobut-3-enyl)-3-methyl-1,2-thiazole
CID 54261562
5-(2,2-Difluoroethyl)-3-methyl-1,2-thiazole
CID 54534912
3-Pentyl-5-(trifluoromethyl)-1,2-thiazole
CID 69942414
3-Methyl-5-(trifluoromethyl)-1,2-thiazole
CID 118466008
5-Methyl-3-(trifluoromethyl)-1,2-thiazole
CID 118466344

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,2-thiazole;methane?
The IUPAC name of 3,5-dimethyl-1,2-thiazole;methane (CID 161133287) is 3,5-dimethyl-1,2-thiazole;methane.
What is the SMILES notation for 3,5-dimethyl-1,2-thiazole;methane?
The canonical SMILES for 3,5-dimethyl-1,2-thiazole;methane is C.Cc1cc(C)sn1.
What is the InChIKey of 3,5-dimethyl-1,2-thiazole;methane?
The InChIKey is UMLZQMXSIQGPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS.CH4/c1-4-3-5(2)7-6-4;/h3H,1-2H3;1H4.
What are the key properties of 3,5-dimethyl-1,2-thiazole;methane?
3,5-dimethyl-1,2-thiazole;methane has a molecular weight of 129.23 g/mol, XLogP of 2.40, 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;methane is sourced from PubChem (CID 161133287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).