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

C8H8N2OS2 — CID 105109237

IUPAC(5-methylthiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol
SMILESCc1ccc(C(O)c2cnsn2)s1
InChIInChI=1S/C8H8N2OS2/c1-5-2-3-7(12-5)8(11)6-4-9-13-10-6/h2-4,8,11H,1H3
InChIKeyLGIYBWYAJPSLOQ-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.99
Rot. Bonds2

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

(5-methylthiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol (PubChem CID 105109237) has the molecular formula C8H8N2OS2 and a molecular weight of 212.30 g/mol. Its IUPAC name is (5-methylthiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol.

Molecular Properties

Compound Name(5-methylthiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol
PubChem CID105109237
Molecular FormulaC8H8N2OS2
Molecular Weight212.30 g/mol
Exact Mass212.01
IUPAC Name(5-methylthiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol
SMILESCc1ccc(C(O)c2cnsn2)s1
InChIInChI=1S/C8H8N2OS2/c1-5-2-3-7(12-5)8(11)6-4-9-13-10-6/h2-4,8,11H,1H3
InChIKeyLGIYBWYAJPSLOQ-UHFFFAOYSA-N
XLogP1.99
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-Fluorothiophen-2-yl)-(2-methyltriazol-4-yl)methanol
CID 130603747
(3-methylthiophen-2-yl)-(2H-triazol-4-yl)methanol
CID 80494600
(5-methylthiophen-3-yl)-(2H-triazol-4-yl)methanol
CID 80494626
(5-methylthiophen-2-yl)-(2H-triazol-4-yl)methanol
CID 80494698
2-thiophen-2-yl-1-(2H-triazol-4-yl)ethanol
CID 80494847
thiophen-2-yl(2H-triazol-4-yl)methanol
CID 80494902
2-(5-ethylthiophen-2-yl)-1-(2H-triazol-4-yl)ethanol
CID 80494933
3-thiophen-2-yl-1-(2H-triazol-4-yl)propan-1-ol
CID 80494972
(2-Methylthiophen-3-yl)-(1,2,5-thiadiazol-3-yl)methanol
CID 102842321
(2-Phenyltriazol-4-yl)-thiophen-2-ylmethanol
CID 105079990
1-(1,2,5-Thiadiazol-3-yl)-2-thiophen-2-ylethanol
CID 105087126
1-(2-Phenyltriazol-4-yl)-2-thiophen-2-ylethanol
CID 105087185

Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol?
The IUPAC name of (5-methylthiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol (CID 105109237) is (5-methylthiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol.
What is the SMILES notation for (5-methylthiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol?
The canonical SMILES for (5-methylthiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol is Cc1ccc(C(O)c2cnsn2)s1.
What is the InChIKey of (5-methylthiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol?
The InChIKey is LGIYBWYAJPSLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS2/c1-5-2-3-7(12-5)8(11)6-4-9-13-10-6/h2-4,8,11H,1H3.
What are the key properties of (5-methylthiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol?
(5-methylthiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol has a molecular weight of 212.30 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylthiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol is sourced from PubChem (CID 105109237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).