2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiadiazol-4-yl)ethanol

C9H13N5OS — CID 105107866

IUPAC2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiadiazol-4-yl)ethanol
SMILESCC(C)n1ncnc1CC(O)c1csnn1
InChIInChI=1S/C9H13N5OS/c1-6(2)14-9(10-5-11-14)3-8(15)7-4-16-13-12-7/h4-6,8,15H,3H2,1-2H3
InChIKeyCHSLNEOOCCYLLH-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.99
Rot. Bonds4

About 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiadiazol-4-yl)ethanol

2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiadiazol-4-yl)ethanol (PubChem CID 105107866) has the molecular formula C9H13N5OS and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiadiazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiadiazol-4-yl)ethanol
PubChem CID105107866
Molecular FormulaC9H13N5OS
Molecular Weight239.30 g/mol
Exact Mass239.08
IUPAC Name2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiadiazol-4-yl)ethanol
SMILESCC(C)n1ncnc1CC(O)c1csnn1
InChIInChI=1S/C9H13N5OS/c1-6(2)14-9(10-5-11-14)3-8(15)7-4-16-13-12-7/h4-6,8,15H,3H2,1-2H3
InChIKeyCHSLNEOOCCYLLH-UHFFFAOYSA-N
XLogP0.99
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanol
CID 105107892
1-(5-fluoro-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 79723844
1-(2-propan-2-yl-1,2,4-triazol-3-yl)butane-2,3-diol
CID 103452773
1-(4-chlorothiophen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 79427873
2-(1-ethylimidazol-2-yl)-1-(thiadiazol-4-yl)ethanol
CID 105112314
1-(4-methylsulfanylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 115813779
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanol
CID 115813812
2-(2-methyl-1,2,4-triazol-3-yl)-1-(thiadiazol-4-yl)ethanamine
CID 105159397
1-(6-methoxy-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 103348045
1-(3-bromothiophen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 113298221
3-cyclopropyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol
CID 115813961
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(3-propylimidazol-4-yl)ethanol
CID 66131445

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiadiazol-4-yl)ethanol?
The IUPAC name of 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiadiazol-4-yl)ethanol (CID 105107866) is 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiadiazol-4-yl)ethanol.
What is the SMILES notation for 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiadiazol-4-yl)ethanol?
The canonical SMILES for 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiadiazol-4-yl)ethanol is CC(C)n1ncnc1CC(O)c1csnn1.
What is the InChIKey of 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiadiazol-4-yl)ethanol?
The InChIKey is CHSLNEOOCCYLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5OS/c1-6(2)14-9(10-5-11-14)3-8(15)7-4-16-13-12-7/h4-6,8,15H,3H2,1-2H3.
What are the key properties of 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiadiazol-4-yl)ethanol?
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiadiazol-4-yl)ethanol has a molecular weight of 239.30 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiadiazol-4-yl)ethanol is sourced from PubChem (CID 105107866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).