3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazol-4-amine

C8H10N4S — CID 61176031

IUPAC3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazol-4-amine
SMILESCc1nn(-c2nccs2)c(C)c1N
InChIInChI=1S/C8H10N4S/c1-5-7(9)6(2)12(11-5)8-10-3-4-13-8/h3-4H,9H2,1-2H3
InChIKeyAHOGSSZPIZDOAZ-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.53
Rot. Bonds1

About 3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazol-4-amine

3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazol-4-amine (PubChem CID 61176031) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is 3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazol-4-amine
PubChem CID61176031
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazol-4-amine
SMILESCc1nn(-c2nccs2)c(C)c1N
InChIInChI=1S/C8H10N4S/c1-5-7(9)6(2)12(11-5)8-10-3-4-13-8/h3-4H,9H2,1-2H3
InChIKeyAHOGSSZPIZDOAZ-UHFFFAOYSA-N
XLogP1.53
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazol-4-amine?
The IUPAC name of 3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazol-4-amine (CID 61176031) is 3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazol-4-amine?
The canonical SMILES for 3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazol-4-amine is Cc1nn(-c2nccs2)c(C)c1N.
What is the InChIKey of 3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazol-4-amine?
The InChIKey is AHOGSSZPIZDOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c1-5-7(9)6(2)12(11-5)8-10-3-4-13-8/h3-4H,9H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazol-4-amine?
3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazol-4-amine has a molecular weight of 194.26 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazol-4-amine is sourced from PubChem (CID 61176031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).