1-(3-methylthiophen-2-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol

C9H10N2OS2 — CID 130815295

IUPAC1-(3-methylthiophen-2-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol
SMILESCc1ccsc1C(O)Cc1cnsn1
InChIInChI=1S/C9H10N2OS2/c1-6-2-3-13-9(6)8(12)4-7-5-10-14-11-7/h2-3,5,8,12H,4H2,1H3
InChIKeyLCIHEKUBSVRLCA-UHFFFAOYSA-N
MW226.33 g/mol
LogP2.18
Rot. Bonds3

About 1-(3-methylthiophen-2-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol

1-(3-methylthiophen-2-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol (PubChem CID 130815295) has the molecular formula C9H10N2OS2 and a molecular weight of 226.33 g/mol. Its IUPAC name is 1-(3-methylthiophen-2-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(3-methylthiophen-2-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol
PubChem CID130815295
Molecular FormulaC9H10N2OS2
Molecular Weight226.33 g/mol
Exact Mass226.02
IUPAC Name1-(3-methylthiophen-2-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol
SMILESCc1ccsc1C(O)Cc1cnsn1
InChIInChI=1S/C9H10N2OS2/c1-6-2-3-13-9(6)8(12)4-7-5-10-14-11-7/h2-3,5,8,12H,4H2,1H3
InChIKeyLCIHEKUBSVRLCA-UHFFFAOYSA-N
XLogP2.18
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methylthiophen-2-yl)-(2H-triazol-4-yl)methanol
CID 80494600
(5-methylthiophen-3-yl)-(2H-triazol-4-yl)methanol
CID 80494626
(2-methylthiophen-3-yl)-(2H-triazol-4-yl)methanol
CID 102831489
(2-Methylthiophen-3-yl)-(1,2,5-thiadiazol-3-yl)methanol
CID 102842321
1-(1,2,5-Thiadiazol-3-yl)-2-thiophen-2-ylethanol
CID 105087126
2-(5-Ethylthiophen-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanol
CID 105087594
1-(1,2,5-Thiadiazol-3-yl)-2-thiophen-3-ylethanol
CID 105089455
1-(1,2,5-Thiadiazol-3-yl)-3-thiophen-3-ylpropan-1-ol
CID 105097814
1-(1,2,5-Thiadiazol-3-yl)-3-thiophen-2-ylpropan-1-ol
CID 105099263
(5-Methylthiophen-3-yl)-(1,2,5-thiadiazol-3-yl)methanol
CID 105103809
(5-Methylthiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol
CID 105109237
(3-Methylthiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol
CID 105112915

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylthiophen-2-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol?
The IUPAC name of 1-(3-methylthiophen-2-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol (CID 130815295) is 1-(3-methylthiophen-2-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol.
What is the SMILES notation for 1-(3-methylthiophen-2-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol?
The canonical SMILES for 1-(3-methylthiophen-2-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol is Cc1ccsc1C(O)Cc1cnsn1.
What is the InChIKey of 1-(3-methylthiophen-2-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol?
The InChIKey is LCIHEKUBSVRLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS2/c1-6-2-3-13-9(6)8(12)4-7-5-10-14-11-7/h2-3,5,8,12H,4H2,1H3.
What are the key properties of 1-(3-methylthiophen-2-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol?
1-(3-methylthiophen-2-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol has a molecular weight of 226.33 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylthiophen-2-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol is sourced from PubChem (CID 130815295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).