5-[(3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]-1,3,4-thiadiazol-2-amine

C9H12N6S2 — CID 144630869

IUPAC5-[(3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(C2CC[C@H](c3nnc(N)s3)C2)s1
InChIInChI=1S/C9H12N6S2/c10-8-14-12-6(16-8)4-1-2-5(3-4)7-13-15-9(11)17-7/h4-5H,1-3H2,(H2,10,14)(H2,11,15)/t4-,5?/m0/s1
InChIKeyVGIANKJUJYSFMP-ROLXFIACSA-N
MW268.37 g/mol
LogP1.61
Rot. Bonds2

About 5-[(3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]-1,3,4-thiadiazol-2-amine

5-[(3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]-1,3,4-thiadiazol-2-amine (PubChem CID 144630869) has the molecular formula C9H12N6S2 and a molecular weight of 268.37 g/mol. Its IUPAC name is 5-[(3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]-1,3,4-thiadiazol-2-amine
PubChem CID144630869
Molecular FormulaC9H12N6S2
Molecular Weight268.37 g/mol
Exact Mass268.06
IUPAC Name5-[(3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(C2CC[C@H](c3nnc(N)s3)C2)s1
InChIInChI=1S/C9H12N6S2/c10-8-14-12-6(16-8)4-1-2-5(3-4)7-13-15-9(11)17-7/h4-5H,1-3H2,(H2,10,14)(H2,11,15)/t4-,5?/m0/s1
InChIKeyVGIANKJUJYSFMP-ROLXFIACSA-N
XLogP1.61
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.37
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]-1,3,4-thiadiazol-2-amine (CID 144630869) is 5-[(3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(C2CC[C@H](c3nnc(N)s3)C2)s1.
What is the InChIKey of 5-[(3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is VGIANKJUJYSFMP-ROLXFIACSA-N. The full InChI is InChI=1S/C9H12N6S2/c10-8-14-12-6(16-8)4-1-2-5(3-4)7-13-15-9(11)17-7/h4-5H,1-3H2,(H2,10,14)(H2,11,15)/t4-,5?/m0/s1.
What are the key properties of 5-[(3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]-1,3,4-thiadiazol-2-amine?
5-[(3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 268.37 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 144630869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).