1-(1,2-thiazol-5-yl)-2-(1,2,4-triazol-1-yl)ethanol

C7H8N4OS — CID 130871558

IUPAC1-(1,2-thiazol-5-yl)-2-(1,2,4-triazol-1-yl)ethanol
SMILESOC(Cn1cncn1)c1ccns1
InChIInChI=1S/C7H8N4OS/c12-6(7-1-2-10-13-7)3-11-5-8-4-9-11/h1-2,4-6,12H,3H2
InChIKeyPLNDSIINZVWPLH-UHFFFAOYSA-N
MW196.24 g/mol
LogP0.47
Rot. Bonds3

About 1-(1,2-thiazol-5-yl)-2-(1,2,4-triazol-1-yl)ethanol

1-(1,2-thiazol-5-yl)-2-(1,2,4-triazol-1-yl)ethanol (PubChem CID 130871558) has the molecular formula C7H8N4OS and a molecular weight of 196.24 g/mol. Its IUPAC name is 1-(1,2-thiazol-5-yl)-2-(1,2,4-triazol-1-yl)ethanol.

Molecular Properties

Compound Name1-(1,2-thiazol-5-yl)-2-(1,2,4-triazol-1-yl)ethanol
PubChem CID130871558
Molecular FormulaC7H8N4OS
Molecular Weight196.24 g/mol
Exact Mass196.04
IUPAC Name1-(1,2-thiazol-5-yl)-2-(1,2,4-triazol-1-yl)ethanol
SMILESOC(Cn1cncn1)c1ccns1
InChIInChI=1S/C7H8N4OS/c12-6(7-1-2-10-13-7)3-11-5-8-4-9-11/h1-2,4-6,12H,3H2
InChIKeyPLNDSIINZVWPLH-UHFFFAOYSA-N
XLogP0.47
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol
CID 51669163
1-(1H-pyrrol-2-yl)-2-(1,2,4-triazol-1-yl)ethanol
CID 130979898
1,1-difluoro-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 21249467
(2S)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 59990743
1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 19849797
4-(4-fluorophenyl)-1-(1,2,4-triazol-1-yl)but-3-en-2-ol
CID 67870604
1-[2-(4-chlorophenyl)phenyl]-2-(1,2,4-triazol-1-yl)ethanol
CID 20525182
2-[5-[1-hydroxy-2-(1,2,4-triazol-1-yl)ethyl]thiophen-3-yl]-1,3-thiazole-4-carboxamide
CID 141020255
2-phenyl-3-(1,2,4-triazol-1-yl)propanoic acid
CID 63073894
2,4-diphenyl-1,5-bis(1,2,4-triazol-1-yl)pentan-3-one
CID 174783039
1-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 70382628
(4-methylcyclohexyl)-(1,2-thiazol-5-yl)methanol
CID 131059678

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-thiazol-5-yl)-2-(1,2,4-triazol-1-yl)ethanol?
The IUPAC name of 1-(1,2-thiazol-5-yl)-2-(1,2,4-triazol-1-yl)ethanol (CID 130871558) is 1-(1,2-thiazol-5-yl)-2-(1,2,4-triazol-1-yl)ethanol.
What is the SMILES notation for 1-(1,2-thiazol-5-yl)-2-(1,2,4-triazol-1-yl)ethanol?
The canonical SMILES for 1-(1,2-thiazol-5-yl)-2-(1,2,4-triazol-1-yl)ethanol is OC(Cn1cncn1)c1ccns1.
What is the InChIKey of 1-(1,2-thiazol-5-yl)-2-(1,2,4-triazol-1-yl)ethanol?
The InChIKey is PLNDSIINZVWPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS/c12-6(7-1-2-10-13-7)3-11-5-8-4-9-11/h1-2,4-6,12H,3H2.
What are the key properties of 1-(1,2-thiazol-5-yl)-2-(1,2,4-triazol-1-yl)ethanol?
1-(1,2-thiazol-5-yl)-2-(1,2,4-triazol-1-yl)ethanol has a molecular weight of 196.24 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-thiazol-5-yl)-2-(1,2,4-triazol-1-yl)ethanol is sourced from PubChem (CID 130871558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).