5-[(3S)-pyrrolidin-3-yl]sulfanyl-1,3,4-thiadiazol-2-amine

C6H10N4S2 — CID 94401662

IUPAC5-[(3S)-pyrrolidin-3-yl]sulfanyl-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(S[C@H]2CCNC2)s1
InChIInChI=1S/C6H10N4S2/c7-5-9-10-6(12-5)11-4-1-2-8-3-4/h4,8H,1-3H2,(H2,7,9)/t4-/m0/s1
InChIKeyCZTSOAUAMNBPDV-BYPYZUCNSA-N
MW202.31 g/mol
LogP0.57
Rot. Bonds2

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

5-[(3S)-pyrrolidin-3-yl]sulfanyl-1,3,4-thiadiazol-2-amine (PubChem CID 94401662) has the molecular formula C6H10N4S2 and a molecular weight of 202.31 g/mol. Its IUPAC name is 5-[(3S)-pyrrolidin-3-yl]sulfanyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(3S)-pyrrolidin-3-yl]sulfanyl-1,3,4-thiadiazol-2-amine
PubChem CID94401662
Molecular FormulaC6H10N4S2
Molecular Weight202.31 g/mol
Exact Mass202.03
IUPAC Name5-[(3S)-pyrrolidin-3-yl]sulfanyl-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(S[C@H]2CCNC2)s1
InChIInChI=1S/C6H10N4S2/c7-5-9-10-6(12-5)11-4-1-2-8-3-4/h4,8H,1-3H2,(H2,7,9)/t4-/m0/s1
InChIKeyCZTSOAUAMNBPDV-BYPYZUCNSA-N
XLogP0.57
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.31
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-pyrrolidin-3-yl]sulfanyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(3S)-pyrrolidin-3-yl]sulfanyl-1,3,4-thiadiazol-2-amine (CID 94401662) is 5-[(3S)-pyrrolidin-3-yl]sulfanyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(3S)-pyrrolidin-3-yl]sulfanyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(3S)-pyrrolidin-3-yl]sulfanyl-1,3,4-thiadiazol-2-amine is Nc1nnc(S[C@H]2CCNC2)s1.
What is the InChIKey of 5-[(3S)-pyrrolidin-3-yl]sulfanyl-1,3,4-thiadiazol-2-amine?
The InChIKey is CZTSOAUAMNBPDV-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H10N4S2/c7-5-9-10-6(12-5)11-4-1-2-8-3-4/h4,8H,1-3H2,(H2,7,9)/t4-/m0/s1.
What are the key properties of 5-[(3S)-pyrrolidin-3-yl]sulfanyl-1,3,4-thiadiazol-2-amine?
5-[(3S)-pyrrolidin-3-yl]sulfanyl-1,3,4-thiadiazol-2-amine has a molecular weight of 202.31 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-pyrrolidin-3-yl]sulfanyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 94401662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).