5-N-methyl-5-N-(thiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine

C7H12N4S2 — CID 66279031

IUPAC5-N-methyl-5-N-(thiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine
SMILESCN(c1nc(N)ns1)C1CCSC1
InChIInChI=1S/C7H12N4S2/c1-11(5-2-3-12-4-5)7-9-6(8)10-13-7/h5H,2-4H2,1H3,(H2,8,10)
InChIKeyAVLATEMWVBAFAN-UHFFFAOYSA-N
MW216.33 g/mol
LogP1.06
Rot. Bonds2

About 5-N-methyl-5-N-(thiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine

5-N-methyl-5-N-(thiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66279031) has the molecular formula C7H12N4S2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 5-N-methyl-5-N-(thiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-methyl-5-N-(thiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine
PubChem CID66279031
Molecular FormulaC7H12N4S2
Molecular Weight216.33 g/mol
Exact Mass216.05
IUPAC Name5-N-methyl-5-N-(thiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine
SMILESCN(c1nc(N)ns1)C1CCSC1
InChIInChI=1S/C7H12N4S2/c1-11(5-2-3-12-4-5)7-9-6(8)10-13-7/h5H,2-4H2,1H3,(H2,8,10)
InChIKeyAVLATEMWVBAFAN-UHFFFAOYSA-N
XLogP1.06
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-5-N-(thiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-methyl-5-N-(thiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine (CID 66279031) is 5-N-methyl-5-N-(thiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-methyl-5-N-(thiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-methyl-5-N-(thiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine is CN(c1nc(N)ns1)C1CCSC1.
What is the InChIKey of 5-N-methyl-5-N-(thiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is AVLATEMWVBAFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S2/c1-11(5-2-3-12-4-5)7-9-6(8)10-13-7/h5H,2-4H2,1H3,(H2,8,10).
What are the key properties of 5-N-methyl-5-N-(thiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine?
5-N-methyl-5-N-(thiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 216.33 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methyl-5-N-(thiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66279031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).