1-(4-propan-2-ylthiadiazol-5-yl)-2-thiophen-3-ylethanol

C11H14N2OS2 — CID 105089500

IUPAC1-(4-propan-2-ylthiadiazol-5-yl)-2-thiophen-3-ylethanol
SMILESCC(C)c1nnsc1C(O)Cc1ccsc1
InChIInChI=1S/C11H14N2OS2/c1-7(2)10-11(16-13-12-10)9(14)5-8-3-4-15-6-8/h3-4,6-7,9,14H,5H2,1-2H3
InChIKeyCMQSBHFYWQJTAH-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.00
Rot. Bonds4

About 1-(4-propan-2-ylthiadiazol-5-yl)-2-thiophen-3-ylethanol

1-(4-propan-2-ylthiadiazol-5-yl)-2-thiophen-3-ylethanol (PubChem CID 105089500) has the molecular formula C11H14N2OS2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-(4-propan-2-ylthiadiazol-5-yl)-2-thiophen-3-ylethanol.

Molecular Properties

Compound Name1-(4-propan-2-ylthiadiazol-5-yl)-2-thiophen-3-ylethanol
PubChem CID105089500
Molecular FormulaC11H14N2OS2
Molecular Weight254.38 g/mol
Exact Mass254.05
IUPAC Name1-(4-propan-2-ylthiadiazol-5-yl)-2-thiophen-3-ylethanol
SMILESCC(C)c1nnsc1C(O)Cc1ccsc1
InChIInChI=1S/C11H14N2OS2/c1-7(2)10-11(16-13-12-10)9(14)5-8-3-4-15-6-8/h3-4,6-7,9,14H,5H2,1-2H3
InChIKeyCMQSBHFYWQJTAH-UHFFFAOYSA-N
XLogP3.00
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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
(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-propan-2-ylthiadiazol-5-yl)ethanol
CID 105083301
2-(1-Benzothiophen-3-yl)-1-(4-ethylthiadiazol-5-yl)ethanol
CID 105083304

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylthiadiazol-5-yl)-2-thiophen-3-ylethanol?
The IUPAC name of 1-(4-propan-2-ylthiadiazol-5-yl)-2-thiophen-3-ylethanol (CID 105089500) is 1-(4-propan-2-ylthiadiazol-5-yl)-2-thiophen-3-ylethanol.
What is the SMILES notation for 1-(4-propan-2-ylthiadiazol-5-yl)-2-thiophen-3-ylethanol?
The canonical SMILES for 1-(4-propan-2-ylthiadiazol-5-yl)-2-thiophen-3-ylethanol is CC(C)c1nnsc1C(O)Cc1ccsc1.
What is the InChIKey of 1-(4-propan-2-ylthiadiazol-5-yl)-2-thiophen-3-ylethanol?
The InChIKey is CMQSBHFYWQJTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS2/c1-7(2)10-11(16-13-12-10)9(14)5-8-3-4-15-6-8/h3-4,6-7,9,14H,5H2,1-2H3.
What are the key properties of 1-(4-propan-2-ylthiadiazol-5-yl)-2-thiophen-3-ylethanol?
1-(4-propan-2-ylthiadiazol-5-yl)-2-thiophen-3-ylethanol has a molecular weight of 254.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylthiadiazol-5-yl)-2-thiophen-3-ylethanol is sourced from PubChem (CID 105089500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).