4-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;hydrochloride

C11H8ClFN4S — CID 122163656

IUPAC4-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;hydrochloride
SMILESCl.Fc1ccc(-c2csc(-c3ncn[nH]3)n2)cc1
InChIInChI=1S/C11H7FN4S.ClH/c12-8-3-1-7(2-4-8)9-5-17-11(15-9)10-13-6-14-16-10;/h1-6H,(H,13,14,16);1H
InChIKeyMAZNYWHNBAGXHZ-UHFFFAOYSA-N
MW282.73 g/mol
LogP3.16
Rot. Bonds2

About 4-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;hydrochloride

4-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;hydrochloride (PubChem CID 122163656) has the molecular formula C11H8ClFN4S and a molecular weight of 282.73 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;hydrochloride
PubChem CID122163656
Molecular FormulaC11H8ClFN4S
Molecular Weight282.73 g/mol
Exact Mass282.01
IUPAC Name4-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;hydrochloride
SMILESCl.Fc1ccc(-c2csc(-c3ncn[nH]3)n2)cc1
InChIInChI=1S/C11H7FN4S.ClH/c12-8-3-1-7(2-4-8)9-5-17-11(15-9)10-13-6-14-16-10;/h1-6H,(H,13,14,16);1H
InChIKeyMAZNYWHNBAGXHZ-UHFFFAOYSA-N
XLogP3.16
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;hydrochloride?
The IUPAC name of 4-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;hydrochloride (CID 122163656) is 4-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;hydrochloride.
What is the SMILES notation for 4-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;hydrochloride?
The canonical SMILES for 4-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;hydrochloride is Cl.Fc1ccc(-c2csc(-c3ncn[nH]3)n2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;hydrochloride?
The InChIKey is MAZNYWHNBAGXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN4S.ClH/c12-8-3-1-7(2-4-8)9-5-17-11(15-9)10-13-6-14-16-10;/h1-6H,(H,13,14,16);1H.
What are the key properties of 4-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;hydrochloride?
4-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;hydrochloride has a molecular weight of 282.73 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;hydrochloride is sourced from PubChem (CID 122163656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).