2-(4-methyl-1,3-thiazol-2-yl)-1-(thiadiazol-5-yl)ethanol

C8H9N3OS2 — CID 105117676

IUPAC2-(4-methyl-1,3-thiazol-2-yl)-1-(thiadiazol-5-yl)ethanol
SMILESCc1csc(CC(O)c2cnns2)n1
InChIInChI=1S/C8H9N3OS2/c1-5-4-13-8(10-5)2-6(12)7-3-9-11-14-7/h3-4,6,12H,2H2,1H3
InChIKeyXYFIFVVBMFCVNK-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.58
Rot. Bonds3

About 2-(4-methyl-1,3-thiazol-2-yl)-1-(thiadiazol-5-yl)ethanol

2-(4-methyl-1,3-thiazol-2-yl)-1-(thiadiazol-5-yl)ethanol (PubChem CID 105117676) has the molecular formula C8H9N3OS2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-2-yl)-1-(thiadiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-2-yl)-1-(thiadiazol-5-yl)ethanol
PubChem CID105117676
Molecular FormulaC8H9N3OS2
Molecular Weight227.31 g/mol
Exact Mass227.02
IUPAC Name2-(4-methyl-1,3-thiazol-2-yl)-1-(thiadiazol-5-yl)ethanol
SMILESCc1csc(CC(O)c2cnns2)n1
InChIInChI=1S/C8H9N3OS2/c1-5-4-13-8(10-5)2-6(12)7-3-9-11-14-7/h3-4,6,12H,2H2,1H3
InChIKeyXYFIFVVBMFCVNK-UHFFFAOYSA-N
XLogP1.58
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methyl-1,3-thiazol-2-yl)-1-pyrimidin-5-ylethanol
CID 62796863
1-(5-bromo-4-methylthiophen-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 115824159
1-(4-ethylthiadiazol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 105117650
1-(thiadiazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanol
CID 105084249
1-(4-methyl-1,3-thiazol-2-yl)butane-2,3-diol
CID 103452784
2-(4-bromothiophen-2-yl)-1-(thiadiazol-5-yl)ethanol
CID 105090603
2-(2-methylphenyl)-1-(thiadiazol-5-yl)ethanol
CID 105078109
2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propyltriazol-4-yl)ethanol
CID 114686403
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 62797218
3-amino-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol
CID 130589293
1-(2,3-dimethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 62797386
1-isoquinolin-8-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 103143412

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-1-(thiadiazol-5-yl)ethanol?
The IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-1-(thiadiazol-5-yl)ethanol (CID 105117676) is 2-(4-methyl-1,3-thiazol-2-yl)-1-(thiadiazol-5-yl)ethanol.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-2-yl)-1-(thiadiazol-5-yl)ethanol?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-2-yl)-1-(thiadiazol-5-yl)ethanol is Cc1csc(CC(O)c2cnns2)n1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-2-yl)-1-(thiadiazol-5-yl)ethanol?
The InChIKey is XYFIFVVBMFCVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS2/c1-5-4-13-8(10-5)2-6(12)7-3-9-11-14-7/h3-4,6,12H,2H2,1H3.
What are the key properties of 2-(4-methyl-1,3-thiazol-2-yl)-1-(thiadiazol-5-yl)ethanol?
2-(4-methyl-1,3-thiazol-2-yl)-1-(thiadiazol-5-yl)ethanol has a molecular weight of 227.31 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-2-yl)-1-(thiadiazol-5-yl)ethanol is sourced from PubChem (CID 105117676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).