1-(4-propylthiadiazol-5-yl)-2-thiophen-2-ylethanol

C11H14N2OS2 — CID 105087181

IUPAC1-(4-propylthiadiazol-5-yl)-2-thiophen-2-ylethanol
SMILESCCCc1nnsc1C(O)Cc1cccs1
InChIInChI=1S/C11H14N2OS2/c1-2-4-9-11(16-13-12-9)10(14)7-8-5-3-6-15-8/h3,5-6,10,14H,2,4,7H2,1H3
InChIKeyLPBWLYGQLKKHRF-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.83
Rot. Bonds5

About 1-(4-propylthiadiazol-5-yl)-2-thiophen-2-ylethanol

1-(4-propylthiadiazol-5-yl)-2-thiophen-2-ylethanol (PubChem CID 105087181) has the molecular formula C11H14N2OS2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-(4-propylthiadiazol-5-yl)-2-thiophen-2-ylethanol.

Molecular Properties

Compound Name1-(4-propylthiadiazol-5-yl)-2-thiophen-2-ylethanol
PubChem CID105087181
Molecular FormulaC11H14N2OS2
Molecular Weight254.38 g/mol
Exact Mass254.05
IUPAC Name1-(4-propylthiadiazol-5-yl)-2-thiophen-2-ylethanol
SMILESCCCc1nnsc1C(O)Cc1cccs1
InChIInChI=1S/C11H14N2OS2/c1-2-4-9-11(16-13-12-9)10(14)7-8-5-3-6-15-8/h3,5-6,10,14H,2,4,7H2,1H3
InChIKeyLPBWLYGQLKKHRF-UHFFFAOYSA-N
XLogP2.83
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methyl-5-[1-(thiophen-2-ylmethoxy)ethenyl]thiadiazole
CID 147785744
(2-Methylthiophen-3-yl)-(thiadiazol-4-yl)methanol
CID 102842253
(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
Thiadiazol-5-yl(thiophen-2-yl)methanol
CID 105079974
(4-Tert-butylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079978
(4-Propylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079979

Frequently Asked Questions

What is the IUPAC name of 1-(4-propylthiadiazol-5-yl)-2-thiophen-2-ylethanol?
The IUPAC name of 1-(4-propylthiadiazol-5-yl)-2-thiophen-2-ylethanol (CID 105087181) is 1-(4-propylthiadiazol-5-yl)-2-thiophen-2-ylethanol.
What is the SMILES notation for 1-(4-propylthiadiazol-5-yl)-2-thiophen-2-ylethanol?
The canonical SMILES for 1-(4-propylthiadiazol-5-yl)-2-thiophen-2-ylethanol is CCCc1nnsc1C(O)Cc1cccs1.
What is the InChIKey of 1-(4-propylthiadiazol-5-yl)-2-thiophen-2-ylethanol?
The InChIKey is LPBWLYGQLKKHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS2/c1-2-4-9-11(16-13-12-9)10(14)7-8-5-3-6-15-8/h3,5-6,10,14H,2,4,7H2,1H3.
What are the key properties of 1-(4-propylthiadiazol-5-yl)-2-thiophen-2-ylethanol?
1-(4-propylthiadiazol-5-yl)-2-thiophen-2-ylethanol has a molecular weight of 254.38 g/mol, XLogP of 2.83, 5 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)-2-thiophen-2-ylethanol is sourced from PubChem (CID 105087181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).