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

C10H8N4S2 — CID 60650149

IUPAC4-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1nc(-c2cccs2)cs1
InChIInChI=1S/C10H8N4S2/c11-9-6(4-12-14-9)10-13-7(5-16-10)8-2-1-3-15-8/h1-5H,(H3,11,12,14)
InChIKeyXFPNEOLHNTULIU-UHFFFAOYSA-N
MW248.34 g/mol
LogP2.84
Rot. Bonds2

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

4-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1H-pyrazol-5-amine (PubChem CID 60650149) has the molecular formula C10H8N4S2 and a molecular weight of 248.34 g/mol. Its IUPAC name is 4-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1H-pyrazol-5-amine
PubChem CID60650149
Molecular FormulaC10H8N4S2
Molecular Weight248.34 g/mol
Exact Mass248.02
IUPAC Name4-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1nc(-c2cccs2)cs1
InChIInChI=1S/C10H8N4S2/c11-9-6(4-12-14-9)10-13-7(5-16-10)8-2-1-3-15-8/h1-5H,(H3,11,12,14)
InChIKeyXFPNEOLHNTULIU-UHFFFAOYSA-N
XLogP2.84
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrazole_amino_B(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1H-pyrazol-5-amine (CID 60650149) is 4-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1nc(-c2cccs2)cs1.
What is the InChIKey of 4-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1H-pyrazol-5-amine?
The InChIKey is XFPNEOLHNTULIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4S2/c11-9-6(4-12-14-9)10-13-7(5-16-10)8-2-1-3-15-8/h1-5H,(H3,11,12,14).
What are the key properties of 4-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1H-pyrazol-5-amine?
4-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1H-pyrazol-5-amine has a molecular weight of 248.34 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1H-pyrazol-5-amine is sourced from PubChem (CID 60650149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).