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

C9H14N4S — CID 66277907

IUPAC5-N-(dicyclopropylmethyl)-1,2,4-thiadiazole-3,5-diamine
SMILESNc1nsc(NC(C2CC2)C2CC2)n1
InChIInChI=1S/C9H14N4S/c10-8-12-9(14-13-8)11-7(5-1-2-5)6-3-4-6/h5-7H,1-4H2,(H3,10,11,12,13)
InChIKeyQKWODPWNHHBPFU-UHFFFAOYSA-N
MW210.31 g/mol
LogP1.72
Rot. Bonds4

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

5-N-(dicyclopropylmethyl)-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66277907) has the molecular formula C9H14N4S and a molecular weight of 210.31 g/mol. Its IUPAC name is 5-N-(dicyclopropylmethyl)-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(dicyclopropylmethyl)-1,2,4-thiadiazole-3,5-diamine
PubChem CID66277907
Molecular FormulaC9H14N4S
Molecular Weight210.31 g/mol
Exact Mass210.09
IUPAC Name5-N-(dicyclopropylmethyl)-1,2,4-thiadiazole-3,5-diamine
SMILESNc1nsc(NC(C2CC2)C2CC2)n1
InChIInChI=1S/C9H14N4S/c10-8-12-9(14-13-8)11-7(5-1-2-5)6-3-4-6/h5-7H,1-4H2,(H3,10,11,12,13)
InChIKeyQKWODPWNHHBPFU-UHFFFAOYSA-N
XLogP1.72
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-(dicyclopropylmethyl)-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-(dicyclopropylmethyl)-1,2,4-thiadiazole-3,5-diamine (CID 66277907) is 5-N-(dicyclopropylmethyl)-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-(dicyclopropylmethyl)-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-(dicyclopropylmethyl)-1,2,4-thiadiazole-3,5-diamine is Nc1nsc(NC(C2CC2)C2CC2)n1.
What is the InChIKey of 5-N-(dicyclopropylmethyl)-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is QKWODPWNHHBPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4S/c10-8-12-9(14-13-8)11-7(5-1-2-5)6-3-4-6/h5-7H,1-4H2,(H3,10,11,12,13).
What are the key properties of 5-N-(dicyclopropylmethyl)-1,2,4-thiadiazole-3,5-diamine?
5-N-(dicyclopropylmethyl)-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 210.31 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(dicyclopropylmethyl)-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66277907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).