2-N,2-N-bis(2-methylpropyl)-1,3,4-thiadiazole-2,5-diamine

C10H20N4S — CID 5309281

IUPAC2-N,2-N-bis(2-methylpropyl)-1,3,4-thiadiazole-2,5-diamine
SMILESCC(C)CN(CC(C)C)c1nnc(N)s1
InChIInChI=1S/C10H20N4S/c1-7(2)5-14(6-8(3)4)10-13-12-9(11)15-10/h7-8H,5-6H2,1-4H3,(H2,11,12)
InChIKeyQHTQPSOKQSRHJT-UHFFFAOYSA-N
MW228.37 g/mol
LogP2.24
Rot. Bonds5

About 2-N,2-N-bis(2-methylpropyl)-1,3,4-thiadiazole-2,5-diamine

2-N,2-N-bis(2-methylpropyl)-1,3,4-thiadiazole-2,5-diamine (PubChem CID 5309281) has the molecular formula C10H20N4S and a molecular weight of 228.37 g/mol. Its IUPAC name is 2-N,2-N-bis(2-methylpropyl)-1,3,4-thiadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N,2-N-bis(2-methylpropyl)-1,3,4-thiadiazole-2,5-diamine
PubChem CID5309281
Molecular FormulaC10H20N4S
Molecular Weight228.37 g/mol
Exact Mass228.14
IUPAC Name2-N,2-N-bis(2-methylpropyl)-1,3,4-thiadiazole-2,5-diamine
SMILESCC(C)CN(CC(C)C)c1nnc(N)s1
InChIInChI=1S/C10H20N4S/c1-7(2)5-14(6-8(3)4)10-13-12-9(11)15-10/h7-8H,5-6H2,1-4H3,(H2,11,12)
InChIKeyQHTQPSOKQSRHJT-UHFFFAOYSA-N
XLogP2.24
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-bis(2-methylpropyl)-1,3,4-thiadiazole-2,5-diamine?
The IUPAC name of 2-N,2-N-bis(2-methylpropyl)-1,3,4-thiadiazole-2,5-diamine (CID 5309281) is 2-N,2-N-bis(2-methylpropyl)-1,3,4-thiadiazole-2,5-diamine.
What is the SMILES notation for 2-N,2-N-bis(2-methylpropyl)-1,3,4-thiadiazole-2,5-diamine?
The canonical SMILES for 2-N,2-N-bis(2-methylpropyl)-1,3,4-thiadiazole-2,5-diamine is CC(C)CN(CC(C)C)c1nnc(N)s1.
What is the InChIKey of 2-N,2-N-bis(2-methylpropyl)-1,3,4-thiadiazole-2,5-diamine?
The InChIKey is QHTQPSOKQSRHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4S/c1-7(2)5-14(6-8(3)4)10-13-12-9(11)15-10/h7-8H,5-6H2,1-4H3,(H2,11,12).
What are the key properties of 2-N,2-N-bis(2-methylpropyl)-1,3,4-thiadiazole-2,5-diamine?
2-N,2-N-bis(2-methylpropyl)-1,3,4-thiadiazole-2,5-diamine has a molecular weight of 228.37 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-bis(2-methylpropyl)-1,3,4-thiadiazole-2,5-diamine is sourced from PubChem (CID 5309281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).