1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-methylbutan-2-ol

C10H17N3OS — CID 65274292

IUPAC1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNc1nc(C2CC2)ns1
InChIInChI=1S/C10H17N3OS/c1-3-10(2,14)6-11-9-12-8(13-15-9)7-4-5-7/h7,14H,3-6H2,1-2H3,(H,11,12,13)
InChIKeySAKVFNZAWAOTAS-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.99
Rot. Bonds5

About 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-methylbutan-2-ol

1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-methylbutan-2-ol (PubChem CID 65274292) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-methylbutan-2-ol
PubChem CID65274292
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNc1nc(C2CC2)ns1
InChIInChI=1S/C10H17N3OS/c1-3-10(2,14)6-11-9-12-8(13-15-9)7-4-5-7/h7,14H,3-6H2,1-2H3,(H,11,12,13)
InChIKeySAKVFNZAWAOTAS-UHFFFAOYSA-N
XLogP1.99
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol
CID 107305003
3-[[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]pentan-3-ol
CID 107305004
2,4-Dimethyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentan-2-ol
CID 113943973
2-[[(3-Ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 166271452
(3R)-4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-fluoro-2-methylbutan-2-ol
CID 166313784
3-butan-2-yl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 65267473
3-cyclopropyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 65267945
N-(2-methoxyethyl)-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 65268236
1-Cyclopropyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 65268334
3-cyclopropyl-N-(3-methylbutyl)-1,2,4-thiadiazol-5-amine
CID 65270967
2-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol
CID 65270983
2-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 65271035

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-methylbutan-2-ol?
The IUPAC name of 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-methylbutan-2-ol (CID 65274292) is 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-methylbutan-2-ol is CCC(C)(O)CNc1nc(C2CC2)ns1.
What is the InChIKey of 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-methylbutan-2-ol?
The InChIKey is SAKVFNZAWAOTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-3-10(2,14)6-11-9-12-8(13-15-9)7-4-5-7/h7,14H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-methylbutan-2-ol?
1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-methylbutan-2-ol has a molecular weight of 227.33 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-methylbutan-2-ol is sourced from PubChem (CID 65274292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).