2-(4-iodopyrazol-1-yl)-1,3-thiazole-5-carbaldehyde

C7H4IN3OS — CID 88591516

IUPAC2-(4-iodopyrazol-1-yl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(-n2cc(I)cn2)s1
InChIInChI=1S/C7H4IN3OS/c8-5-1-10-11(3-5)7-9-2-6(4-12)13-7/h1-4H
InChIKeyWFVWLWXMFRFGBI-UHFFFAOYSA-N
MW305.10 g/mol
LogP1.75
Rot. Bonds2

About 2-(4-iodopyrazol-1-yl)-1,3-thiazole-5-carbaldehyde

2-(4-iodopyrazol-1-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 88591516) has the molecular formula C7H4IN3OS and a molecular weight of 305.10 g/mol. Its IUPAC name is 2-(4-iodopyrazol-1-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(4-iodopyrazol-1-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID88591516
Molecular FormulaC7H4IN3OS
Molecular Weight305.10 g/mol
Exact Mass304.91
IUPAC Name2-(4-iodopyrazol-1-yl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(-n2cc(I)cn2)s1
InChIInChI=1S/C7H4IN3OS/c8-5-1-10-11(3-5)7-9-2-6(4-12)13-7/h1-4H
InChIKeyWFVWLWXMFRFGBI-UHFFFAOYSA-N
XLogP1.75
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.10
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-iodopyrazol-1-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(4-iodopyrazol-1-yl)-1,3-thiazole-5-carbaldehyde (CID 88591516) is 2-(4-iodopyrazol-1-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(4-iodopyrazol-1-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(4-iodopyrazol-1-yl)-1,3-thiazole-5-carbaldehyde is O=Cc1cnc(-n2cc(I)cn2)s1.
What is the InChIKey of 2-(4-iodopyrazol-1-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is WFVWLWXMFRFGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4IN3OS/c8-5-1-10-11(3-5)7-9-2-6(4-12)13-7/h1-4H.
What are the key properties of 2-(4-iodopyrazol-1-yl)-1,3-thiazole-5-carbaldehyde?
2-(4-iodopyrazol-1-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 305.10 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodopyrazol-1-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 88591516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).