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

C10H17N3OS — CID 115886077

IUPAC3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylbutan-1-ol
SMILESCC(C)(CCO)Nc1nc(C2CC2)ns1
InChIInChI=1S/C10H17N3OS/c1-10(2,5-6-14)12-9-11-8(13-15-9)7-3-4-7/h7,14H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyBVOAMDVQSJNATI-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.99
Rot. Bonds5

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

3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylbutan-1-ol (PubChem CID 115886077) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylbutan-1-ol
PubChem CID115886077
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylbutan-1-ol
SMILESCC(C)(CCO)Nc1nc(C2CC2)ns1
InChIInChI=1S/C10H17N3OS/c1-10(2,5-6-14)12-9-11-8(13-15-9)7-3-4-7/h7,14H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyBVOAMDVQSJNATI-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

3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylpentan-1-ol
CID 103894661
N-tert-butyl-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65268446
1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methylpropane-1,2-diamine
CID 115303698
2-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,3-dimethylbutane-1,2-diamine
CID 115310862
(2S)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylbutan-1-ol
CID 79245937
1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine
CID 65275684
N-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]acetamide
CID 65271621
1-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethylamino]propan-2-ol
CID 104594431
3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-methylpropanoic acid
CID 65270826
2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]ethanol
CID 133496128
1-cyclopropyl-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 65274384
3-cyclopropyl-N-[(2,2-dimethylcyclopropyl)methyl]-1,2,4-thiadiazol-5-amine
CID 103736534

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylbutan-1-ol?
The IUPAC name of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylbutan-1-ol (CID 115886077) is 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylbutan-1-ol?
The canonical SMILES for 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylbutan-1-ol is CC(C)(CCO)Nc1nc(C2CC2)ns1.
What is the InChIKey of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylbutan-1-ol?
The InChIKey is BVOAMDVQSJNATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-10(2,5-6-14)12-9-11-8(13-15-9)7-3-4-7/h7,14H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylbutan-1-ol?
3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylbutan-1-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 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 115886077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).