2-N-cyclopentyl-1,3,4-thiadiazole-2,5-diamine

C7H12N4S — CID 6917212

IUPAC2-N-cyclopentyl-1,3,4-thiadiazole-2,5-diamine
SMILESNc1nnc(NC2CCCC2)s1
InChIInChI=1S/C7H12N4S/c8-6-10-11-7(12-6)9-5-3-1-2-4-5/h5H,1-4H2,(H2,8,10)(H,9,11)
InChIKeyFGCINSNMIOPLLZ-UHFFFAOYSA-N
MW184.27 g/mol
LogP1.47
Rot. Bonds2

About 2-N-cyclopentyl-1,3,4-thiadiazole-2,5-diamine

2-N-cyclopentyl-1,3,4-thiadiazole-2,5-diamine (PubChem CID 6917212) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is 2-N-cyclopentyl-1,3,4-thiadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-cyclopentyl-1,3,4-thiadiazole-2,5-diamine
PubChem CID6917212
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC Name2-N-cyclopentyl-1,3,4-thiadiazole-2,5-diamine
SMILESNc1nnc(NC2CCCC2)s1
InChIInChI=1S/C7H12N4S/c8-6-10-11-7(12-6)9-5-3-1-2-4-5/h5H,1-4H2,(H2,8,10)(H,9,11)
InChIKeyFGCINSNMIOPLLZ-UHFFFAOYSA-N
XLogP1.47
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopentyl-1,3,4-thiadiazole-2,5-diamine?
The IUPAC name of 2-N-cyclopentyl-1,3,4-thiadiazole-2,5-diamine (CID 6917212) is 2-N-cyclopentyl-1,3,4-thiadiazole-2,5-diamine.
What is the SMILES notation for 2-N-cyclopentyl-1,3,4-thiadiazole-2,5-diamine?
The canonical SMILES for 2-N-cyclopentyl-1,3,4-thiadiazole-2,5-diamine is Nc1nnc(NC2CCCC2)s1.
What is the InChIKey of 2-N-cyclopentyl-1,3,4-thiadiazole-2,5-diamine?
The InChIKey is FGCINSNMIOPLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c8-6-10-11-7(12-6)9-5-3-1-2-4-5/h5H,1-4H2,(H2,8,10)(H,9,11).
What are the key properties of 2-N-cyclopentyl-1,3,4-thiadiazole-2,5-diamine?
2-N-cyclopentyl-1,3,4-thiadiazole-2,5-diamine has a molecular weight of 184.27 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopentyl-1,3,4-thiadiazole-2,5-diamine is sourced from PubChem (CID 6917212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).