1-(4-methylthiadiazol-5-yl)-3-thiophen-3-ylpropan-1-ol

C10H12N2OS2 — CID 105097825

IUPAC1-(4-methylthiadiazol-5-yl)-3-thiophen-3-ylpropan-1-ol
SMILESCc1nnsc1C(O)CCc1ccsc1
InChIInChI=1S/C10H12N2OS2/c1-7-10(15-12-11-7)9(13)3-2-8-4-5-14-6-8/h4-6,9,13H,2-3H2,1H3
InChIKeyHZKBFDUCHSBQHX-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.57
Rot. Bonds4

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

1-(4-methylthiadiazol-5-yl)-3-thiophen-3-ylpropan-1-ol (PubChem CID 105097825) has the molecular formula C10H12N2OS2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(4-methylthiadiazol-5-yl)-3-thiophen-3-ylpropan-1-ol.

Molecular Properties

Compound Name1-(4-methylthiadiazol-5-yl)-3-thiophen-3-ylpropan-1-ol
PubChem CID105097825
Molecular FormulaC10H12N2OS2
Molecular Weight240.35 g/mol
Exact Mass240.04
IUPAC Name1-(4-methylthiadiazol-5-yl)-3-thiophen-3-ylpropan-1-ol
SMILESCc1nnsc1C(O)CCc1ccsc1
InChIInChI=1S/C10H12N2OS2/c1-7-10(15-12-11-7)9(13)3-2-8-4-5-14-6-8/h4-6,9,13H,2-3H2,1H3
InChIKeyHZKBFDUCHSBQHX-UHFFFAOYSA-N
XLogP2.57
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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-ethylthiadiazol-5-yl)ethanol
CID 105083304
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-methylthiadiazol-5-yl)-3-thiophen-3-ylpropan-1-ol?
The IUPAC name of 1-(4-methylthiadiazol-5-yl)-3-thiophen-3-ylpropan-1-ol (CID 105097825) is 1-(4-methylthiadiazol-5-yl)-3-thiophen-3-ylpropan-1-ol.
What is the SMILES notation for 1-(4-methylthiadiazol-5-yl)-3-thiophen-3-ylpropan-1-ol?
The canonical SMILES for 1-(4-methylthiadiazol-5-yl)-3-thiophen-3-ylpropan-1-ol is Cc1nnsc1C(O)CCc1ccsc1.
What is the InChIKey of 1-(4-methylthiadiazol-5-yl)-3-thiophen-3-ylpropan-1-ol?
The InChIKey is HZKBFDUCHSBQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS2/c1-7-10(15-12-11-7)9(13)3-2-8-4-5-14-6-8/h4-6,9,13H,2-3H2,1H3.
What are the key properties of 1-(4-methylthiadiazol-5-yl)-3-thiophen-3-ylpropan-1-ol?
1-(4-methylthiadiazol-5-yl)-3-thiophen-3-ylpropan-1-ol has a molecular weight of 240.35 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylthiadiazol-5-yl)-3-thiophen-3-ylpropan-1-ol is sourced from PubChem (CID 105097825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).