5-(deuteriomethyl)-3-methyl-1,2-thiazole

C5H7NS — CID 157285361

IUPAC5-(deuteriomethyl)-3-methyl-1,2-thiazole
SMILES[2H]Cc1cc(C)ns1
InChIInChI=1S/C5H7NS/c1-4-3-5(2)7-6-4/h3H,1-2H3/i2D
InChIKeyBAEACXLWSZGCAZ-VMNATFBRSA-N
MW114.19 g/mol
LogP1.76
Rot. Bonds1

About 5-(deuteriomethyl)-3-methyl-1,2-thiazole

5-(deuteriomethyl)-3-methyl-1,2-thiazole (PubChem CID 157285361) has the molecular formula C5H7NS and a molecular weight of 114.19 g/mol. Its IUPAC name is 5-(deuteriomethyl)-3-methyl-1,2-thiazole.

Molecular Properties

Compound Name5-(deuteriomethyl)-3-methyl-1,2-thiazole
PubChem CID157285361
Molecular FormulaC5H7NS
Molecular Weight114.19 g/mol
Exact Mass114.04
IUPAC Name5-(deuteriomethyl)-3-methyl-1,2-thiazole
SMILES[2H]Cc1cc(C)ns1
InChIInChI=1S/C5H7NS/c1-4-3-5(2)7-6-4/h3H,1-2H3/i2D
InChIKeyBAEACXLWSZGCAZ-VMNATFBRSA-N
XLogP1.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.76
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-(Bromomethyl)-5-(trifluoromethyl)-1,2-thiazole
CID 137935613
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-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 5-(deuteriomethyl)-3-methyl-1,2-thiazole?
The IUPAC name of 5-(deuteriomethyl)-3-methyl-1,2-thiazole (CID 157285361) is 5-(deuteriomethyl)-3-methyl-1,2-thiazole.
What is the SMILES notation for 5-(deuteriomethyl)-3-methyl-1,2-thiazole?
The canonical SMILES for 5-(deuteriomethyl)-3-methyl-1,2-thiazole is [2H]Cc1cc(C)ns1.
What is the InChIKey of 5-(deuteriomethyl)-3-methyl-1,2-thiazole?
The InChIKey is BAEACXLWSZGCAZ-VMNATFBRSA-N. The full InChI is InChI=1S/C5H7NS/c1-4-3-5(2)7-6-4/h3H,1-2H3/i2D.
What are the key properties of 5-(deuteriomethyl)-3-methyl-1,2-thiazole?
5-(deuteriomethyl)-3-methyl-1,2-thiazole has a molecular weight of 114.19 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(deuteriomethyl)-3-methyl-1,2-thiazole is sourced from PubChem (CID 157285361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).