1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methylpropane-1,2-diamine

C9H16N4S — CID 115303698

IUPAC1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methylpropane-1,2-diamine
SMILESCC(C)(N)CNc1nc(C2CC2)ns1
InChIInChI=1S/C9H16N4S/c1-9(2,10)5-11-8-12-7(13-14-8)6-3-4-6/h6H,3-5,10H2,1-2H3,(H,11,12,13)
InChIKeyVICKWASYYPIFHT-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.56
Rot. Bonds4

About 1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methylpropane-1,2-diamine

1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methylpropane-1,2-diamine (PubChem CID 115303698) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methylpropane-1,2-diamine
PubChem CID115303698
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methylpropane-1,2-diamine
SMILESCC(C)(N)CNc1nc(C2CC2)ns1
InChIInChI=1S/C9H16N4S/c1-9(2,10)5-11-8-12-7(13-14-8)6-3-4-6/h6H,3-5,10H2,1-2H3,(H,11,12,13)
InChIKeyVICKWASYYPIFHT-UHFFFAOYSA-N
XLogP1.56
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine
CID 65275684
N-tert-butyl-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65268446
N-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]acetamide
CID 65271621
3-cyclopropyl-N-[(2,2-dimethylcyclopropyl)methyl]-1,2,4-thiadiazol-5-amine
CID 103736534
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-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,3-dimethylbutane-1,2-diamine
CID 115310862
3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylbutan-1-ol
CID 115886077
3-cyclopropyl-N-(3-methylsulfinylbutyl)-1,2,4-thiadiazol-5-amine
CID 115715825
1-cyclopropyl-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 65274384
N-(2-chloro-2-cyclopropylethyl)-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65277411
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 133428506

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methylpropane-1,2-diamine?
The IUPAC name of 1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methylpropane-1,2-diamine (CID 115303698) is 1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methylpropane-1,2-diamine is CC(C)(N)CNc1nc(C2CC2)ns1.
What is the InChIKey of 1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methylpropane-1,2-diamine?
The InChIKey is VICKWASYYPIFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-9(2,10)5-11-8-12-7(13-14-8)6-3-4-6/h6H,3-5,10H2,1-2H3,(H,11,12,13).
What are the key properties of 1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methylpropane-1,2-diamine?
1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methylpropane-1,2-diamine has a molecular weight of 212.32 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methylpropane-1,2-diamine is sourced from PubChem (CID 115303698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).