1-(1,3-thiazol-5-ylmethyl)pyrazol-3-amine

C7H8N4S — CID 112640510

IUPAC1-(1,3-thiazol-5-ylmethyl)pyrazol-3-amine
SMILESNc1ccn(Cc2cncs2)n1
InChIInChI=1S/C7H8N4S/c8-7-1-2-11(10-7)4-6-3-9-5-12-6/h1-3,5H,4H2,(H2,8,10)
InChIKeyOAPHRNCPIBGLTP-UHFFFAOYSA-N
MW180.24 g/mol
LogP0.97
Rot. Bonds2

About 1-(1,3-thiazol-5-ylmethyl)pyrazol-3-amine

1-(1,3-thiazol-5-ylmethyl)pyrazol-3-amine (PubChem CID 112640510) has the molecular formula C7H8N4S and a molecular weight of 180.24 g/mol. Its IUPAC name is 1-(1,3-thiazol-5-ylmethyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(1,3-thiazol-5-ylmethyl)pyrazol-3-amine
PubChem CID112640510
Molecular FormulaC7H8N4S
Molecular Weight180.24 g/mol
Exact Mass180.05
IUPAC Name1-(1,3-thiazol-5-ylmethyl)pyrazol-3-amine
SMILESNc1ccn(Cc2cncs2)n1
InChIInChI=1S/C7H8N4S/c8-7-1-2-11(10-7)4-6-3-9-5-12-6/h1-3,5H,4H2,(H2,8,10)
InChIKeyOAPHRNCPIBGLTP-UHFFFAOYSA-N
XLogP0.97
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 50.97
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-5-ylmethyl)pyrazol-3-amine?
The IUPAC name of 1-(1,3-thiazol-5-ylmethyl)pyrazol-3-amine (CID 112640510) is 1-(1,3-thiazol-5-ylmethyl)pyrazol-3-amine.
What is the SMILES notation for 1-(1,3-thiazol-5-ylmethyl)pyrazol-3-amine?
The canonical SMILES for 1-(1,3-thiazol-5-ylmethyl)pyrazol-3-amine is Nc1ccn(Cc2cncs2)n1.
What is the InChIKey of 1-(1,3-thiazol-5-ylmethyl)pyrazol-3-amine?
The InChIKey is OAPHRNCPIBGLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S/c8-7-1-2-11(10-7)4-6-3-9-5-12-6/h1-3,5H,4H2,(H2,8,10).
What are the key properties of 1-(1,3-thiazol-5-ylmethyl)pyrazol-3-amine?
1-(1,3-thiazol-5-ylmethyl)pyrazol-3-amine has a molecular weight of 180.24 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-5-ylmethyl)pyrazol-3-amine is sourced from PubChem (CID 112640510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).