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

C6H6N4S — CID 61175059

IUPAC1-(1,3-thiazol-2-yl)pyrazol-4-amine
SMILESNc1cnn(-c2nccs2)c1
InChIInChI=1S/C6H6N4S/c7-5-3-9-10(4-5)6-8-1-2-11-6/h1-4H,7H2
InChIKeyKQUNLWGKECAGHA-UHFFFAOYSA-N
MW166.21 g/mol
LogP0.91
Rot. Bonds1

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

1-(1,3-thiazol-2-yl)pyrazol-4-amine (PubChem CID 61175059) 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-4-amine.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)pyrazol-4-amine
PubChem CID61175059
Molecular FormulaC6H6N4S
Molecular Weight166.21 g/mol
Exact Mass166.03
IUPAC Name1-(1,3-thiazol-2-yl)pyrazol-4-amine
SMILESNc1cnn(-c2nccs2)c1
InChIInChI=1S/C6H6N4S/c7-5-3-9-10(4-5)6-8-1-2-11-6/h1-4H,7H2
InChIKeyKQUNLWGKECAGHA-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-4-amine?
The IUPAC name of 1-(1,3-thiazol-2-yl)pyrazol-4-amine (CID 61175059) is 1-(1,3-thiazol-2-yl)pyrazol-4-amine.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)pyrazol-4-amine?
The canonical SMILES for 1-(1,3-thiazol-2-yl)pyrazol-4-amine is Nc1cnn(-c2nccs2)c1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)pyrazol-4-amine?
The InChIKey is KQUNLWGKECAGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4S/c7-5-3-9-10(4-5)6-8-1-2-11-6/h1-4H,7H2.
What are the key properties of 1-(1,3-thiazol-2-yl)pyrazol-4-amine?
1-(1,3-thiazol-2-yl)pyrazol-4-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-4-amine is sourced from PubChem (CID 61175059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).