(2R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1,2-diol

C5H9N3O2S2 — CID 7107533

IUPAC(2R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1,2-diol
SMILESNc1nnc(SC[C@H](O)CO)s1
InChIInChI=1S/C5H9N3O2S2/c6-4-7-8-5(12-4)11-2-3(10)1-9/h3,9-10H,1-2H2,(H2,6,7)/t3-/m1/s1
InChIKeyKJZFTWBCNSFDNN-GSVOUGTGSA-N
MW207.28 g/mol
LogP-0.43
Rot. Bonds4

About (2R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1,2-diol

(2R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1,2-diol (PubChem CID 7107533) has the molecular formula C5H9N3O2S2 and a molecular weight of 207.28 g/mol. Its IUPAC name is (2R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1,2-diol
PubChem CID7107533
Molecular FormulaC5H9N3O2S2
Molecular Weight207.28 g/mol
Exact Mass207.01
IUPAC Name(2R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1,2-diol
SMILESNc1nnc(SC[C@H](O)CO)s1
InChIInChI=1S/C5H9N3O2S2/c6-4-7-8-5(12-4)11-2-3(10)1-9/h3,9-10H,1-2H2,(H2,6,7)/t3-/m1/s1
InChIKeyKJZFTWBCNSFDNN-GSVOUGTGSA-N
XLogP-0.43
TPSA92.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1,2-diol?
The IUPAC name of (2R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1,2-diol (CID 7107533) is (2R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1,2-diol.
What is the SMILES notation for (2R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1,2-diol?
The canonical SMILES for (2R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1,2-diol is Nc1nnc(SC[C@H](O)CO)s1.
What is the InChIKey of (2R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1,2-diol?
The InChIKey is KJZFTWBCNSFDNN-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H9N3O2S2/c6-4-7-8-5(12-4)11-2-3(10)1-9/h3,9-10H,1-2H2,(H2,6,7)/t3-/m1/s1.
What are the key properties of (2R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1,2-diol?
(2R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1,2-diol has a molecular weight of 207.28 g/mol, XLogP of -0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1,2-diol is sourced from PubChem (CID 7107533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).