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

C7H8N4S — CID 130604833

IUPAC1H-pyrazol-4-yl(1,2-thiazol-3-yl)methanamine
SMILESNC(c1cn[nH]c1)c1ccsn1
InChIInChI=1S/C7H8N4S/c8-7(5-3-9-10-4-5)6-1-2-12-11-6/h1-4,7H,8H2,(H,9,10)
InChIKeyBHUHOEQOBHDLML-UHFFFAOYSA-N
MW180.24 g/mol
LogP0.91
Rot. Bonds2

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

1H-pyrazol-4-yl(1,2-thiazol-3-yl)methanamine (PubChem CID 130604833) has the molecular formula C7H8N4S and a molecular weight of 180.24 g/mol. Its IUPAC name is 1H-pyrazol-4-yl(1,2-thiazol-3-yl)methanamine.

Molecular Properties

Compound Name1H-pyrazol-4-yl(1,2-thiazol-3-yl)methanamine
PubChem CID130604833
Molecular FormulaC7H8N4S
Molecular Weight180.24 g/mol
Exact Mass180.05
IUPAC Name1H-pyrazol-4-yl(1,2-thiazol-3-yl)methanamine
SMILESNC(c1cn[nH]c1)c1ccsn1
InChIInChI=1S/C7H8N4S/c8-7(5-3-9-10-4-5)6-1-2-12-11-6/h1-4,7H,8H2,(H,9,10)
InChIKeyBHUHOEQOBHDLML-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-4-yl(1,2-thiazol-3-yl)methanamine?
The IUPAC name of 1H-pyrazol-4-yl(1,2-thiazol-3-yl)methanamine (CID 130604833) is 1H-pyrazol-4-yl(1,2-thiazol-3-yl)methanamine.
What is the SMILES notation for 1H-pyrazol-4-yl(1,2-thiazol-3-yl)methanamine?
The canonical SMILES for 1H-pyrazol-4-yl(1,2-thiazol-3-yl)methanamine is NC(c1cn[nH]c1)c1ccsn1.
What is the InChIKey of 1H-pyrazol-4-yl(1,2-thiazol-3-yl)methanamine?
The InChIKey is BHUHOEQOBHDLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S/c8-7(5-3-9-10-4-5)6-1-2-12-11-6/h1-4,7H,8H2,(H,9,10).
What are the key properties of 1H-pyrazol-4-yl(1,2-thiazol-3-yl)methanamine?
1H-pyrazol-4-yl(1,2-thiazol-3-yl)methanamine has a molecular weight of 180.24 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-4-yl(1,2-thiazol-3-yl)methanamine is sourced from PubChem (CID 130604833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).