4-(4-iodopyrazol-1-yl)-2-(trifluoromethyl)-1,3-thiazole

C7H3F3IN3S — CID 165479311

IUPAC4-(4-iodopyrazol-1-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1nc(-n2cc(I)cn2)cs1
InChIInChI=1S/C7H3F3IN3S/c8-7(9,10)6-13-5(3-15-6)14-2-4(11)1-12-14/h1-3H
InChIKeyCXGJCYVWVZJYKY-UHFFFAOYSA-N
MW345.09 g/mol
LogP2.95
Rot. Bonds1

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

4-(4-iodopyrazol-1-yl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 165479311) has the molecular formula C7H3F3IN3S and a molecular weight of 345.09 g/mol. Its IUPAC name is 4-(4-iodopyrazol-1-yl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-iodopyrazol-1-yl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID165479311
Molecular FormulaC7H3F3IN3S
Molecular Weight345.09 g/mol
Exact Mass344.90
IUPAC Name4-(4-iodopyrazol-1-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1nc(-n2cc(I)cn2)cs1
InChIInChI=1S/C7H3F3IN3S/c8-7(9,10)6-13-5(3-15-6)14-2-4(11)1-12-14/h1-3H
InChIKeyCXGJCYVWVZJYKY-UHFFFAOYSA-N
XLogP2.95
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.09
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-iodopyrazol-1-yl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 4-(4-iodopyrazol-1-yl)-2-(trifluoromethyl)-1,3-thiazole (CID 165479311) is 4-(4-iodopyrazol-1-yl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 4-(4-iodopyrazol-1-yl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 4-(4-iodopyrazol-1-yl)-2-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1nc(-n2cc(I)cn2)cs1.
What is the InChIKey of 4-(4-iodopyrazol-1-yl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is CXGJCYVWVZJYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3IN3S/c8-7(9,10)6-13-5(3-15-6)14-2-4(11)1-12-14/h1-3H.
What are the key properties of 4-(4-iodopyrazol-1-yl)-2-(trifluoromethyl)-1,3-thiazole?
4-(4-iodopyrazol-1-yl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 345.09 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodopyrazol-1-yl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 165479311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).