1-(1,3-thiazol-2-yl)pyrazol-3-amine

C6H6N4S — CID 61177157

IUPAC1-(1,3-thiazol-2-yl)pyrazol-3-amine
SMILESNc1ccn(-c2nccs2)n1
InChIInChI=1S/C6H6N4S/c7-5-1-3-10(9-5)6-8-2-4-11-6/h1-4H,(H2,7,9)
InChIKeyQFIXGAORNPCSQO-UHFFFAOYSA-N
MW166.21 g/mol
LogP0.91
Rot. Bonds1

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

1-(1,3-thiazol-2-yl)pyrazol-3-amine (PubChem CID 61177157) has the molecular formula C6H6N4S and a molecular weight of 166.21 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)pyrazol-3-amine
PubChem CID61177157
Molecular FormulaC6H6N4S
Molecular Weight166.21 g/mol
Exact Mass166.03
IUPAC Name1-(1,3-thiazol-2-yl)pyrazol-3-amine
SMILESNc1ccn(-c2nccs2)n1
InChIInChI=1S/C6H6N4S/c7-5-1-3-10(9-5)6-8-2-4-11-6/h1-4H,(H2,7,9)
InChIKeyQFIXGAORNPCSQO-UHFFFAOYSA-N
XLogP0.91
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)pyrazol-3-amine?
The IUPAC name of 1-(1,3-thiazol-2-yl)pyrazol-3-amine (CID 61177157) is 1-(1,3-thiazol-2-yl)pyrazol-3-amine.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)pyrazol-3-amine?
The canonical SMILES for 1-(1,3-thiazol-2-yl)pyrazol-3-amine is Nc1ccn(-c2nccs2)n1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)pyrazol-3-amine?
The InChIKey is QFIXGAORNPCSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4S/c7-5-1-3-10(9-5)6-8-2-4-11-6/h1-4H,(H2,7,9).
What are the key properties of 1-(1,3-thiazol-2-yl)pyrazol-3-amine?
1-(1,3-thiazol-2-yl)pyrazol-3-amine has a molecular weight of 166.21 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)pyrazol-3-amine is sourced from PubChem (CID 61177157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).