4-(5-amino-1H-pyrazol-4-yl)-1,3-thiazole-2-carbaldehyde

C7H6N4OS — CID 87898207

IUPAC4-(5-amino-1H-pyrazol-4-yl)-1,3-thiazole-2-carbaldehyde
SMILESNc1[nH]ncc1-c1csc(C=O)n1
InChIInChI=1S/C7H6N4OS/c8-7-4(1-9-11-7)5-3-13-6(2-12)10-5/h1-3H,(H3,8,9,11)
InChIKeyORFOXNQSMGTHHD-UHFFFAOYSA-N
MW194.22 g/mol
LogP0.93
Rot. Bonds2

About 4-(5-amino-1H-pyrazol-4-yl)-1,3-thiazole-2-carbaldehyde

4-(5-amino-1H-pyrazol-4-yl)-1,3-thiazole-2-carbaldehyde (PubChem CID 87898207) has the molecular formula C7H6N4OS and a molecular weight of 194.22 g/mol. Its IUPAC name is 4-(5-amino-1H-pyrazol-4-yl)-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name4-(5-amino-1H-pyrazol-4-yl)-1,3-thiazole-2-carbaldehyde
PubChem CID87898207
Molecular FormulaC7H6N4OS
Molecular Weight194.22 g/mol
Exact Mass194.03
IUPAC Name4-(5-amino-1H-pyrazol-4-yl)-1,3-thiazole-2-carbaldehyde
SMILESNc1[nH]ncc1-c1csc(C=O)n1
InChIInChI=1S/C7H6N4OS/c8-7-4(1-9-11-7)5-3-13-6(2-12)10-5/h1-3H,(H3,8,9,11)
InChIKeyORFOXNQSMGTHHD-UHFFFAOYSA-N
XLogP0.93
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1H-pyrazol-4-yl)-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 4-(5-amino-1H-pyrazol-4-yl)-1,3-thiazole-2-carbaldehyde (CID 87898207) is 4-(5-amino-1H-pyrazol-4-yl)-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 4-(5-amino-1H-pyrazol-4-yl)-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 4-(5-amino-1H-pyrazol-4-yl)-1,3-thiazole-2-carbaldehyde is Nc1[nH]ncc1-c1csc(C=O)n1.
What is the InChIKey of 4-(5-amino-1H-pyrazol-4-yl)-1,3-thiazole-2-carbaldehyde?
The InChIKey is ORFOXNQSMGTHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4OS/c8-7-4(1-9-11-7)5-3-13-6(2-12)10-5/h1-3H,(H3,8,9,11).
What are the key properties of 4-(5-amino-1H-pyrazol-4-yl)-1,3-thiazole-2-carbaldehyde?
4-(5-amino-1H-pyrazol-4-yl)-1,3-thiazole-2-carbaldehyde has a molecular weight of 194.22 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1H-pyrazol-4-yl)-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 87898207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).