4-methyl-2-(1-methyltriazol-4-yl)-1,3-thiazolidine

C7H12N4S — CID 130599104

IUPAC4-methyl-2-(1-methyltriazol-4-yl)-1,3-thiazolidine
SMILESCC1CSC(c2cn(C)nn2)N1
InChIInChI=1S/C7H12N4S/c1-5-4-12-7(8-5)6-3-11(2)10-9-6/h3,5,7-8H,4H2,1-2H3
InChIKeyAQUNBFAQRQAABS-UHFFFAOYSA-N
MW184.27 g/mol
LogP0.54
Rot. Bonds1

About 4-methyl-2-(1-methyltriazol-4-yl)-1,3-thiazolidine

4-methyl-2-(1-methyltriazol-4-yl)-1,3-thiazolidine (PubChem CID 130599104) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is 4-methyl-2-(1-methyltriazol-4-yl)-1,3-thiazolidine.

Molecular Properties

Compound Name4-methyl-2-(1-methyltriazol-4-yl)-1,3-thiazolidine
PubChem CID130599104
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC Name4-methyl-2-(1-methyltriazol-4-yl)-1,3-thiazolidine
SMILESCC1CSC(c2cn(C)nn2)N1
InChIInChI=1S/C7H12N4S/c1-5-4-12-7(8-5)6-3-11(2)10-9-6/h3,5,7-8H,4H2,1-2H3
InChIKeyAQUNBFAQRQAABS-UHFFFAOYSA-N
XLogP0.54
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-one
CID 164725953
2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-one
CID 175903666
2-(1,5-dimethylpyrazol-4-yl)-4-methyl-1,3-thiazolidine
CID 79583472
(4S)-2-[1-(3-hydroxypropyl)triazol-4-yl]-1,3-thiazolidine-4-carboxylic acid
CID 107774076
4-methyl-2-(3-propylimidazol-4-yl)-1,3-thiazolidine
CID 66218656
4-(1-methyltriazol-4-yl)piperidine-2,6-dione
CID 130599132
3-methyliodanuidyl-6-(1-methyltriazol-4-yl)-3-azabicyclo[3.1.0]hexane
CID 176692654
2-[1-(2-hydroxyethyl)triazol-4-yl]-1,3-thiazolidine-4-carboxylic acid
CID 80500578
4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazolidine
CID 66217186
1-methyl-4-[(3R)-oxan-3-yl]triazole
CID 164914057
2-cyclopropyl-6-(1-methyltriazol-4-yl)piperidin-4-one
CID 175445816
2-(1-methylpyrazol-3-yl)-1,3-thiazolidine-4-carboxylic acid
CID 131071428

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1-methyltriazol-4-yl)-1,3-thiazolidine?
The IUPAC name of 4-methyl-2-(1-methyltriazol-4-yl)-1,3-thiazolidine (CID 130599104) is 4-methyl-2-(1-methyltriazol-4-yl)-1,3-thiazolidine.
What is the SMILES notation for 4-methyl-2-(1-methyltriazol-4-yl)-1,3-thiazolidine?
The canonical SMILES for 4-methyl-2-(1-methyltriazol-4-yl)-1,3-thiazolidine is CC1CSC(c2cn(C)nn2)N1.
What is the InChIKey of 4-methyl-2-(1-methyltriazol-4-yl)-1,3-thiazolidine?
The InChIKey is AQUNBFAQRQAABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c1-5-4-12-7(8-5)6-3-11(2)10-9-6/h3,5,7-8H,4H2,1-2H3.
What are the key properties of 4-methyl-2-(1-methyltriazol-4-yl)-1,3-thiazolidine?
4-methyl-2-(1-methyltriazol-4-yl)-1,3-thiazolidine has a molecular weight of 184.27 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-methyltriazol-4-yl)-1,3-thiazolidine is sourced from PubChem (CID 130599104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).