1-cyclopropyl-2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanol

C8H12N2OS — CID 65273534

IUPAC1-cyclopropyl-2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanol
SMILESCc1nsc(CC(O)C2CC2)n1
InChIInChI=1S/C8H12N2OS/c1-5-9-8(12-10-5)4-7(11)6-2-3-6/h6-7,11H,2-4H2,1H3
InChIKeyGUPBIMDFFMGXEX-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.16
Rot. Bonds3

About 1-cyclopropyl-2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanol

1-cyclopropyl-2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanol (PubChem CID 65273534) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 1-cyclopropyl-2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanol
PubChem CID65273534
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name1-cyclopropyl-2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanol
SMILESCc1nsc(CC(O)C2CC2)n1
InChIInChI=1S/C8H12N2OS/c1-5-9-8(12-10-5)4-7(11)6-2-3-6/h6-7,11H,2-4H2,1H3
InChIKeyGUPBIMDFFMGXEX-UHFFFAOYSA-N
XLogP1.16
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol
CID 65273411
1-(3-Methyl-1,2,4-thiadiazol-5-yl)propan-2-ol
CID 65273469
3-(3-Methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol
CID 65273470
1-(3-Methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol
CID 65273471
3,3-Dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol
CID 65273472
1-(3-Methyl-1,2,4-thiadiazol-5-yl)butan-2-ol
CID 65273531
3-Methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol
CID 65273532
3-(3-Methyl-1,2,4-thiadiazol-5-yl)butan-2-ol
CID 65273533
2-(3-Methyl-1,2,4-thiadiazol-5-yl)pentan-3-ol
CID 65273535
2-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-3-hydroxypropanenitrile
CID 65277323
1-(3-Ethyl-1,2,4-thiadiazol-5-yl)propan-2-ol
CID 65279888
1-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)propan-2-ol
CID 65279889

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanol?
The IUPAC name of 1-cyclopropyl-2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanol (CID 65273534) is 1-cyclopropyl-2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanol.
What is the SMILES notation for 1-cyclopropyl-2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanol?
The canonical SMILES for 1-cyclopropyl-2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanol is Cc1nsc(CC(O)C2CC2)n1.
What is the InChIKey of 1-cyclopropyl-2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanol?
The InChIKey is GUPBIMDFFMGXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-5-9-8(12-10-5)4-7(11)6-2-3-6/h6-7,11H,2-4H2,1H3.
What are the key properties of 1-cyclopropyl-2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanol?
1-cyclopropyl-2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanol has a molecular weight of 184.26 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanol is sourced from PubChem (CID 65273534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).