3-methyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-ol

C7H10N2OS — CID 105110023

IUPAC3-methyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-ol
SMILESC=C(C)CC(O)c1cnsn1
InChIInChI=1S/C7H10N2OS/c1-5(2)3-7(10)6-4-8-11-9-6/h4,7,10H,1,3H2,2H3
InChIKeyDGYFSWLTSNJITJ-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.54
Rot. Bonds3

About 3-methyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-ol

3-methyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-ol (PubChem CID 105110023) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 3-methyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-ol.

Molecular Properties

Compound Name3-methyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-ol
PubChem CID105110023
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name3-methyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-ol
SMILESC=C(C)CC(O)c1cnsn1
InChIInChI=1S/C7H10N2OS/c1-5(2)3-7(10)6-4-8-11-9-6/h4,7,10H,1,3H2,2H3
InChIKeyDGYFSWLTSNJITJ-UHFFFAOYSA-N
XLogP1.54
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-(5-methylpyrazin-2-yl)but-3-en-1-ol
CID 105110111
N-ethyl-4-methyl-1-(1,2,5-thiadiazol-3-yl)pent-4-en-1-amine
CID 105182650
N-methyl-3-methylidene-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine
CID 105163885
4-methoxy-4-methyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-ol
CID 103028152
3-methyl-1-(1,2,5-thiadiazol-3-yl)but-2-en-1-amine
CID 105163358
2-(2,6-difluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanol
CID 105133056
3-methyl-1-(2,4,6-trimethylphenyl)but-3-en-1-ol
CID 115816847
1-(3,5-dichlorophenyl)-3-methylbut-3-en-1-ol
CID 115816915
2-(4-bromothiophen-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanol
CID 105090530
1-(5-amino-1H-pyrazol-4-yl)-3-methylbut-3-en-1-ol
CID 79178902
3-methyl-1-(3,4,5-trimethoxyphenyl)but-3-en-1-ol
CID 115816807
2-(3-bromothiophen-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanol
CID 105090888

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-ol?
The IUPAC name of 3-methyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-ol (CID 105110023) is 3-methyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-ol.
What is the SMILES notation for 3-methyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-ol?
The canonical SMILES for 3-methyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-ol is C=C(C)CC(O)c1cnsn1.
What is the InChIKey of 3-methyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-ol?
The InChIKey is DGYFSWLTSNJITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-5(2)3-7(10)6-4-8-11-9-6/h4,7,10H,1,3H2,2H3.
What are the key properties of 3-methyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-ol?
3-methyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-ol has a molecular weight of 170.24 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-ol is sourced from PubChem (CID 105110023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).