N,3-bis(2-methylpropyl)-1,2,4-thiadiazol-5-amine

C10H19N3S — CID 65267527

IUPACN,3-bis(2-methylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)CNc1nc(CC(C)C)ns1
InChIInChI=1S/C10H19N3S/c1-7(2)5-9-12-10(14-13-9)11-6-8(3)4/h7-8H,5-6H2,1-4H3,(H,11,12,13)
InChIKeyKKUAQTSIWUMYET-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.80
Rot. Bonds5

About N,3-bis(2-methylpropyl)-1,2,4-thiadiazol-5-amine

N,3-bis(2-methylpropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65267527) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is N,3-bis(2-methylpropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN,3-bis(2-methylpropyl)-1,2,4-thiadiazol-5-amine
PubChem CID65267527
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC NameN,3-bis(2-methylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)CNc1nc(CC(C)C)ns1
InChIInChI=1S/C10H19N3S/c1-7(2)5-9-12-10(14-13-9)11-6-8(3)4/h7-8H,5-6H2,1-4H3,(H,11,12,13)
InChIKeyKKUAQTSIWUMYET-UHFFFAOYSA-N
XLogP2.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,3-bis(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N,3-bis(2-methylpropyl)-1,2,4-thiadiazol-5-amine (CID 65267527) is N,3-bis(2-methylpropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N,3-bis(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N,3-bis(2-methylpropyl)-1,2,4-thiadiazol-5-amine is CC(C)CNc1nc(CC(C)C)ns1.
What is the InChIKey of N,3-bis(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is KKUAQTSIWUMYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-7(2)5-9-12-10(14-13-9)11-6-8(3)4/h7-8H,5-6H2,1-4H3,(H,11,12,13).
What are the key properties of N,3-bis(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
N,3-bis(2-methylpropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 213.35 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-bis(2-methylpropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).