3-(2,2-dimethylpropyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine

C10H19N3S — CID 65269281

IUPAC3-(2,2-dimethylpropyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)Nc1nc(CC(C)(C)C)ns1
InChIInChI=1S/C10H19N3S/c1-7(2)11-9-12-8(13-14-9)6-10(3,4)5/h7H,6H2,1-5H3,(H,11,12,13)
InChIKeyGYFBUPSOUMCPOL-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.95
Rot. Bonds3

About 3-(2,2-dimethylpropyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine

3-(2,2-dimethylpropyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65269281) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID65269281
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name3-(2,2-dimethylpropyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)Nc1nc(CC(C)(C)C)ns1
InChIInChI=1S/C10H19N3S/c1-7(2)11-9-12-8(13-14-9)6-10(3,4)5/h7H,6H2,1-5H3,(H,11,12,13)
InChIKeyGYFBUPSOUMCPOL-UHFFFAOYSA-N
XLogP2.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(tert-butylsulfanylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65268482
3-(2-ethoxypropan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 116734330
3-(2-ethoxybutan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 116782320
1-N,1-N-diethyl-2-N-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine
CID 65276801
3-N,3-N-dimethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine
CID 65269163
1-N,1-N-diethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine
CID 65276800
3-ethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine
CID 65276551
3-cyclobutyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65268424
3-N-(3-benzyl-1,2,4-thiadiazol-5-yl)butane-2,3-diamine
CID 143676361
3-[(4-fluorophenyl)methyl]-N-(3-methylbutan-2-yl)-1,2,4-thiadiazol-5-amine
CID 42776353
3-cycloheptyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65423064
N-ethyl-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propanamide
CID 65276938

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(2,2-dimethylpropyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 65269281) is 3-(2,2-dimethylpropyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(2,2-dimethylpropyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine is CC(C)Nc1nc(CC(C)(C)C)ns1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is GYFBUPSOUMCPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-7(2)11-9-12-8(13-14-9)6-10(3,4)5/h7H,6H2,1-5H3,(H,11,12,13).
What are the key properties of 3-(2,2-dimethylpropyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
3-(2,2-dimethylpropyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 213.35 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65269281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).