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

C8H8N2OS2 — CID 105112915

IUPAC(3-methylthiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol
SMILESCc1ccsc1C(O)c1cnsn1
InChIInChI=1S/C8H8N2OS2/c1-5-2-3-12-8(5)7(11)6-4-9-13-10-6/h2-4,7,11H,1H3
InChIKeyLAVICCJLPLJOIM-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.99
Rot. Bonds2

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

(3-methylthiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol (PubChem CID 105112915) has the molecular formula C8H8N2OS2 and a molecular weight of 212.30 g/mol. Its IUPAC name is (3-methylthiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol.

Molecular Properties

Compound Name(3-methylthiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol
PubChem CID105112915
Molecular FormulaC8H8N2OS2
Molecular Weight212.30 g/mol
Exact Mass212.01
IUPAC Name(3-methylthiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol
SMILESCc1ccsc1C(O)c1cnsn1
InChIInChI=1S/C8H8N2OS2/c1-5-2-3-12-8(5)7(11)6-4-9-13-10-6/h2-4,7,11H,1H3
InChIKeyLAVICCJLPLJOIM-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-3-yl-1-(2H-triazol-4-yl)ethanol
CID 80494782
thiophen-3-yl(2H-triazol-4-yl)methanol
CID 80494810
thiophen-2-yl(2H-triazol-4-yl)methanol
CID 80494902
(2-methylthiophen-3-yl)-(2H-triazol-4-yl)methanol
CID 102831489
(2-Methylthiophen-3-yl)-(1,2,5-thiadiazol-3-yl)methanol
CID 102842321
(2-Methylthiophen-3-yl)-(2-phenyltriazol-4-yl)methanol
CID 102842372
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

Frequently Asked Questions

What is the IUPAC name of (3-methylthiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol?
The IUPAC name of (3-methylthiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol (CID 105112915) is (3-methylthiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol.
What is the SMILES notation for (3-methylthiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol?
The canonical SMILES for (3-methylthiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol is Cc1ccsc1C(O)c1cnsn1.
What is the InChIKey of (3-methylthiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol?
The InChIKey is LAVICCJLPLJOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS2/c1-5-2-3-12-8(5)7(11)6-4-9-13-10-6/h2-4,7,11H,1H3.
What are the key properties of (3-methylthiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol?
(3-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 (3-methylthiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol is sourced from PubChem (CID 105112915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).