1-(thiadiazol-5-yl)-3-thiophen-3-ylpropan-1-ol

C9H10N2OS2 — CID 105097893

IUPAC1-(thiadiazol-5-yl)-3-thiophen-3-ylpropan-1-ol
SMILESOC(CCc1ccsc1)c1cnns1
InChIInChI=1S/C9H10N2OS2/c12-8(9-5-10-11-14-9)2-1-7-3-4-13-6-7/h3-6,8,12H,1-2H2
InChIKeyQFAAFLJLXOZMPO-UHFFFAOYSA-N
MW226.33 g/mol
LogP2.27
Rot. Bonds4

About 1-(thiadiazol-5-yl)-3-thiophen-3-ylpropan-1-ol

1-(thiadiazol-5-yl)-3-thiophen-3-ylpropan-1-ol (PubChem CID 105097893) has the molecular formula C9H10N2OS2 and a molecular weight of 226.33 g/mol. Its IUPAC name is 1-(thiadiazol-5-yl)-3-thiophen-3-ylpropan-1-ol.

Molecular Properties

Compound Name1-(thiadiazol-5-yl)-3-thiophen-3-ylpropan-1-ol
PubChem CID105097893
Molecular FormulaC9H10N2OS2
Molecular Weight226.33 g/mol
Exact Mass226.02
IUPAC Name1-(thiadiazol-5-yl)-3-thiophen-3-ylpropan-1-ol
SMILESOC(CCc1ccsc1)c1cnns1
InChIInChI=1S/C9H10N2OS2/c12-8(9-5-10-11-14-9)2-1-7-3-4-13-6-7/h3-6,8,12H,1-2H2
InChIKeyQFAAFLJLXOZMPO-UHFFFAOYSA-N
XLogP2.27
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(thiadiazol-5-yl)-3-thiophen-3-ylpropan-1-amine
CID 105147974
N-ethyl-1-(thiadiazol-5-yl)-2-thiophen-3-ylethanamine
CID 105137529
1-(5-bromo-4-methylthiophen-2-yl)-3-thiophen-3-ylpropan-1-ol
CID 115798352
1-cyclopropyl-3-thiophen-3-ylpropan-1-ol
CID 63354651
1-(2-chlorofuran-3-yl)-3-thiophen-3-ylpropan-1-ol
CID 106693735
1-(3-methylfuran-2-yl)-3-thiophen-3-ylpropan-1-ol
CID 104800835
1-(3,5-dimethoxyphenyl)-3-thiophen-3-ylpropan-1-ol
CID 65148145
5-methyl-1-thiophen-3-ylhexane-3,4-diol
CID 103456568
2-(2-methylphenyl)-1-(thiadiazol-5-yl)ethanol
CID 105078109
2-(4-bromothiophen-2-yl)-1-(thiadiazol-5-yl)ethanol
CID 105090603
4-propyl-1-thiophen-3-ylheptan-3-ol
CID 115798450
1-chloro-1,1-difluoro-4-thiophen-3-ylbutan-2-ol
CID 112575293

Frequently Asked Questions

What is the IUPAC name of 1-(thiadiazol-5-yl)-3-thiophen-3-ylpropan-1-ol?
The IUPAC name of 1-(thiadiazol-5-yl)-3-thiophen-3-ylpropan-1-ol (CID 105097893) is 1-(thiadiazol-5-yl)-3-thiophen-3-ylpropan-1-ol.
What is the SMILES notation for 1-(thiadiazol-5-yl)-3-thiophen-3-ylpropan-1-ol?
The canonical SMILES for 1-(thiadiazol-5-yl)-3-thiophen-3-ylpropan-1-ol is OC(CCc1ccsc1)c1cnns1.
What is the InChIKey of 1-(thiadiazol-5-yl)-3-thiophen-3-ylpropan-1-ol?
The InChIKey is QFAAFLJLXOZMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS2/c12-8(9-5-10-11-14-9)2-1-7-3-4-13-6-7/h3-6,8,12H,1-2H2.
What are the key properties of 1-(thiadiazol-5-yl)-3-thiophen-3-ylpropan-1-ol?
1-(thiadiazol-5-yl)-3-thiophen-3-ylpropan-1-ol has a molecular weight of 226.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiadiazol-5-yl)-3-thiophen-3-ylpropan-1-ol is sourced from PubChem (CID 105097893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).