[4-chloro-2-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazol-5-yl]methanol

C6H5ClN4OS2 — CID 80693252

IUPAC[4-chloro-2-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(Sc2ncn[nH]2)nc1Cl
InChIInChI=1S/C6H5ClN4OS2/c7-4-3(1-12)13-6(10-4)14-5-8-2-9-11-5/h2,12H,1H2,(H,8,9,11)
InChIKeyIYJQLDAJKAYJBE-UHFFFAOYSA-N
MW248.72 g/mol
LogP1.56
Rot. Bonds3

About [4-chloro-2-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazol-5-yl]methanol

[4-chloro-2-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazol-5-yl]methanol (PubChem CID 80693252) has the molecular formula C6H5ClN4OS2 and a molecular weight of 248.72 g/mol. Its IUPAC name is [4-chloro-2-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazol-5-yl]methanol
PubChem CID80693252
Molecular FormulaC6H5ClN4OS2
Molecular Weight248.72 g/mol
Exact Mass247.96
IUPAC Name[4-chloro-2-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(Sc2ncn[nH]2)nc1Cl
InChIInChI=1S/C6H5ClN4OS2/c7-4-3(1-12)13-6(10-4)14-5-8-2-9-11-5/h2,12H,1H2,(H,8,9,11)
InChIKeyIYJQLDAJKAYJBE-UHFFFAOYSA-N
XLogP1.56
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.72
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazol-5-yl]methanol (CID 80693252) is [4-chloro-2-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazol-5-yl]methanol is OCc1sc(Sc2ncn[nH]2)nc1Cl.
What is the InChIKey of [4-chloro-2-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is IYJQLDAJKAYJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN4OS2/c7-4-3(1-12)13-6(10-4)14-5-8-2-9-11-5/h2,12H,1H2,(H,8,9,11).
What are the key properties of [4-chloro-2-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazol-5-yl]methanol?
[4-chloro-2-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 248.72 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 80693252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).