[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]methanamine

C7H8N4S — CID 79487594

IUPAC[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]methanamine
SMILESNCc1cn[nH]c1-c1nccs1
InChIInChI=1S/C7H8N4S/c8-3-5-4-10-11-6(5)7-9-1-2-12-7/h1-2,4H,3,8H2,(H,10,11)
InChIKeyQMVNKCAHZLUFCX-UHFFFAOYSA-N
MW180.24 g/mol
LogP0.99
Rot. Bonds2

About [5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]methanamine

[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]methanamine (PubChem CID 79487594) has the molecular formula C7H8N4S and a molecular weight of 180.24 g/mol. Its IUPAC name is [5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]methanamine
PubChem CID79487594
Molecular FormulaC7H8N4S
Molecular Weight180.24 g/mol
Exact Mass180.05
IUPAC Name[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]methanamine
SMILESNCc1cn[nH]c1-c1nccs1
InChIInChI=1S/C7H8N4S/c8-3-5-4-10-11-6(5)7-9-1-2-12-7/h1-2,4H,3,8H2,(H,10,11)
InChIKeyQMVNKCAHZLUFCX-UHFFFAOYSA-N
XLogP0.99
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]methanamine?
The IUPAC name of [5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]methanamine (CID 79487594) is [5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]methanamine.
What is the SMILES notation for [5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]methanamine?
The canonical SMILES for [5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]methanamine is NCc1cn[nH]c1-c1nccs1.
What is the InChIKey of [5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]methanamine?
The InChIKey is QMVNKCAHZLUFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S/c8-3-5-4-10-11-6(5)7-9-1-2-12-7/h1-2,4H,3,8H2,(H,10,11).
What are the key properties of [5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]methanamine?
[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]methanamine has a molecular weight of 180.24 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]methanamine is sourced from PubChem (CID 79487594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).