1-(4-propylthiadiazol-5-yl)-3-thiophen-2-ylpropan-1-ol

C12H16N2OS2 — CID 105099371

IUPAC1-(4-propylthiadiazol-5-yl)-3-thiophen-2-ylpropan-1-ol
SMILESCCCc1nnsc1C(O)CCc1cccs1
InChIInChI=1S/C12H16N2OS2/c1-2-4-10-12(17-14-13-10)11(15)7-6-9-5-3-8-16-9/h3,5,8,11,15H,2,4,6-7H2,1H3
InChIKeyUVVGUMWZEACJBE-UHFFFAOYSA-N
MW268.41 g/mol
LogP3.22
Rot. Bonds6

About 1-(4-propylthiadiazol-5-yl)-3-thiophen-2-ylpropan-1-ol

1-(4-propylthiadiazol-5-yl)-3-thiophen-2-ylpropan-1-ol (PubChem CID 105099371) has the molecular formula C12H16N2OS2 and a molecular weight of 268.41 g/mol. Its IUPAC name is 1-(4-propylthiadiazol-5-yl)-3-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name1-(4-propylthiadiazol-5-yl)-3-thiophen-2-ylpropan-1-ol
PubChem CID105099371
Molecular FormulaC12H16N2OS2
Molecular Weight268.41 g/mol
Exact Mass268.07
IUPAC Name1-(4-propylthiadiazol-5-yl)-3-thiophen-2-ylpropan-1-ol
SMILESCCCc1nnsc1C(O)CCc1cccs1
InChIInChI=1S/C12H16N2OS2/c1-2-4-10-12(17-14-13-10)11(15)7-6-9-5-3-8-16-9/h3,5,8,11,15H,2,4,6-7H2,1H3
InChIKeyUVVGUMWZEACJBE-UHFFFAOYSA-N
XLogP3.22
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methyl-5-(phenylsulfanylmethyl)thiadiazole;(4-methylthiadiazol-5-yl)methanol
CID 161333590
(2-Methylthiophen-3-yl)-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 102842379
(4-Ethylthiadiazol-5-yl)-(2-methylthiophen-3-yl)methanol
CID 102842425
(2-Methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methanol
CID 102842516
(4-Methylthiadiazol-5-yl)-(2-methylthiophen-3-yl)methanol
CID 102842557
(4-Methylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079900
(4-Propan-2-ylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079956
(4-Ethylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079958
(4-Tert-butylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079978
(4-Propylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079979
2-(1-Benzothiophen-3-yl)-1-(4-propylthiadiazol-5-yl)ethanol
CID 105083334
1-(4-Methylthiadiazol-5-yl)-2-thiophen-2-ylethanol
CID 105087134

Frequently Asked Questions

What is the IUPAC name of 1-(4-propylthiadiazol-5-yl)-3-thiophen-2-ylpropan-1-ol?
The IUPAC name of 1-(4-propylthiadiazol-5-yl)-3-thiophen-2-ylpropan-1-ol (CID 105099371) is 1-(4-propylthiadiazol-5-yl)-3-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 1-(4-propylthiadiazol-5-yl)-3-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 1-(4-propylthiadiazol-5-yl)-3-thiophen-2-ylpropan-1-ol is CCCc1nnsc1C(O)CCc1cccs1.
What is the InChIKey of 1-(4-propylthiadiazol-5-yl)-3-thiophen-2-ylpropan-1-ol?
The InChIKey is UVVGUMWZEACJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS2/c1-2-4-10-12(17-14-13-10)11(15)7-6-9-5-3-8-16-9/h3,5,8,11,15H,2,4,6-7H2,1H3.
What are the key properties of 1-(4-propylthiadiazol-5-yl)-3-thiophen-2-ylpropan-1-ol?
1-(4-propylthiadiazol-5-yl)-3-thiophen-2-ylpropan-1-ol has a molecular weight of 268.41 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylthiadiazol-5-yl)-3-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 105099371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).