3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-2,3-dimethylbutan-2-ol

C10H19N3OS — CID 106185437

IUPAC3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-2,3-dimethylbutan-2-ol
SMILESCCc1nsc(NC(C)(C)C(C)(C)O)n1
InChIInChI=1S/C10H19N3OS/c1-6-7-11-8(15-13-7)12-9(2,3)10(4,5)14/h14H,6H2,1-5H3,(H,11,12,13)
InChIKeyOUOCZQAYTBOKEE-UHFFFAOYSA-N
MW229.35 g/mol
LogP2.06
Rot. Bonds4

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

3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-2,3-dimethylbutan-2-ol (PubChem CID 106185437) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-2,3-dimethylbutan-2-ol
PubChem CID106185437
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-2,3-dimethylbutan-2-ol
SMILESCCc1nsc(NC(C)(C)C(C)(C)O)n1
InChIInChI=1S/C10H19N3OS/c1-6-7-11-8(15-13-7)12-9(2,3)10(4,5)14/h14H,6H2,1-5H3,(H,11,12,13)
InChIKeyOUOCZQAYTBOKEE-UHFFFAOYSA-N
XLogP2.06
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2,3-dimethylbutan-2-ol
CID 106198156
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]acetonitrile
CID 131134565
3-ethyl-N-(2-fluoroethyl)-1,2,4-thiadiazol-5-amine
CID 130478087
N-(2-ethoxy-2-methylpropyl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 114943090
3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-2-methoxypropanoic acid
CID 106108447
2-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanamide
CID 65277150
3-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)-1,2,4-thiadiazol-5-amine
CID 103736647
N'-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65272512
3-methyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentan-1-ol
CID 106171537
3-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]pentan-3-ol
CID 65274410
4-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenol
CID 115680838
N-(4-chlorobutyl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 106845066

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-2,3-dimethylbutan-2-ol (CID 106185437) is 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-2,3-dimethylbutan-2-ol is CCc1nsc(NC(C)(C)C(C)(C)O)n1.
What is the InChIKey of 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-2,3-dimethylbutan-2-ol?
The InChIKey is OUOCZQAYTBOKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-6-7-11-8(15-13-7)12-9(2,3)10(4,5)14/h14H,6H2,1-5H3,(H,11,12,13).
What are the key properties of 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-2,3-dimethylbutan-2-ol?
3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-2,3-dimethylbutan-2-ol has a molecular weight of 229.35 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 106185437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).