3-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-ol

C10H18N2OS — CID 65280373

IUPAC3-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-ol
SMILESCCCc1nsc(CC(O)C(C)C)n1
InChIInChI=1S/C10H18N2OS/c1-4-5-9-11-10(14-12-9)6-8(13)7(2)3/h7-8,13H,4-6H2,1-3H3
InChIKeyWREQBWPOLFYMSM-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.05
Rot. Bonds5

About 3-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-ol

3-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-ol (PubChem CID 65280373) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 3-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-ol
PubChem CID65280373
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name3-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-ol
SMILESCCCc1nsc(CC(O)C(C)C)n1
InChIInChI=1S/C10H18N2OS/c1-4-5-9-11-10(14-12-9)6-8(13)7(2)3/h7-8,13H,4-6H2,1-3H3
InChIKeyWREQBWPOLFYMSM-UHFFFAOYSA-N
XLogP2.05
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-2-(3-propyl-1,2,4-thiadiazol-5-yl)ethanol
CID 65280498
1-(3-ethyl-1,2,4-thiadiazol-5-yl)pentan-2-ol
CID 65280066
1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylbutan-2-ol
CID 65280315
2-[5-(2-methylpropyl)-1,2,4-thiadiazol-3-yl]ethanamine
CID 82406035
1-(3-ethyl-1,2,4-thiadiazol-5-yl)propan-2-amine
CID 65280169
1-cyclopropyl-2-(3-propyl-1,2,4-thiadiazol-5-yl)ethanone
CID 65280839
(2S)-3-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol
CID 79247194
2-(3-propyl-1,2,4-thiadiazol-5-yl)pentan-3-one
CID 65279988
1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3,3-dimethylbutan-2-amine
CID 65280352
N-methyl-3-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-amine
CID 65280668
5-(2-bromopentan-3-yl)-3-propyl-1,2,4-thiadiazole
CID 65280014
1-(3-ethyl-1,2,4-thiadiazol-5-yl)butan-2-amine
CID 65280536

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-ol?
The IUPAC name of 3-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-ol (CID 65280373) is 3-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-ol.
What is the SMILES notation for 3-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-ol?
The canonical SMILES for 3-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-ol is CCCc1nsc(CC(O)C(C)C)n1.
What is the InChIKey of 3-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-ol?
The InChIKey is WREQBWPOLFYMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-4-5-9-11-10(14-12-9)6-8(13)7(2)3/h7-8,13H,4-6H2,1-3H3.
What are the key properties of 3-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-ol?
3-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-ol has a molecular weight of 214.33 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-ol is sourced from PubChem (CID 65280373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).