2-N-[(3R)-1-hydroxypyrrolidin-3-yl]-1,3,4-thiadiazole-2,5-diamine

C6H11N5OS — CID 118554604

IUPAC2-N-[(3R)-1-hydroxypyrrolidin-3-yl]-1,3,4-thiadiazole-2,5-diamine
SMILESNc1nnc(N[C@@H]2CCN(O)C2)s1
InChIInChI=1S/C6H11N5OS/c7-5-9-10-6(13-5)8-4-1-2-11(12)3-4/h4,12H,1-3H2,(H2,7,9)(H,8,10)/t4-/m1/s1
InChIKeyNNNVCAAPFNURIT-SCSAIBSYSA-N
MW201.25 g/mol
LogP-0.00
Rot. Bonds2

About 2-N-[(3R)-1-hydroxypyrrolidin-3-yl]-1,3,4-thiadiazole-2,5-diamine

2-N-[(3R)-1-hydroxypyrrolidin-3-yl]-1,3,4-thiadiazole-2,5-diamine (PubChem CID 118554604) has the molecular formula C6H11N5OS and a molecular weight of 201.25 g/mol. Its IUPAC name is 2-N-[(3R)-1-hydroxypyrrolidin-3-yl]-1,3,4-thiadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-[(3R)-1-hydroxypyrrolidin-3-yl]-1,3,4-thiadiazole-2,5-diamine
PubChem CID118554604
Molecular FormulaC6H11N5OS
Molecular Weight201.25 g/mol
Exact Mass201.07
IUPAC Name2-N-[(3R)-1-hydroxypyrrolidin-3-yl]-1,3,4-thiadiazole-2,5-diamine
SMILESNc1nnc(N[C@@H]2CCN(O)C2)s1
InChIInChI=1S/C6H11N5OS/c7-5-9-10-6(13-5)8-4-1-2-11(12)3-4/h4,12H,1-3H2,(H2,7,9)(H,8,10)/t4-/m1/s1
InChIKeyNNNVCAAPFNURIT-SCSAIBSYSA-N
XLogP-0.00
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(3R)-1-hydroxypyrrolidin-3-yl]-1,3,4-thiadiazole-2,5-diamine?
The IUPAC name of 2-N-[(3R)-1-hydroxypyrrolidin-3-yl]-1,3,4-thiadiazole-2,5-diamine (CID 118554604) is 2-N-[(3R)-1-hydroxypyrrolidin-3-yl]-1,3,4-thiadiazole-2,5-diamine.
What is the SMILES notation for 2-N-[(3R)-1-hydroxypyrrolidin-3-yl]-1,3,4-thiadiazole-2,5-diamine?
The canonical SMILES for 2-N-[(3R)-1-hydroxypyrrolidin-3-yl]-1,3,4-thiadiazole-2,5-diamine is Nc1nnc(N[C@@H]2CCN(O)C2)s1.
What is the InChIKey of 2-N-[(3R)-1-hydroxypyrrolidin-3-yl]-1,3,4-thiadiazole-2,5-diamine?
The InChIKey is NNNVCAAPFNURIT-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H11N5OS/c7-5-9-10-6(13-5)8-4-1-2-11(12)3-4/h4,12H,1-3H2,(H2,7,9)(H,8,10)/t4-/m1/s1.
What are the key properties of 2-N-[(3R)-1-hydroxypyrrolidin-3-yl]-1,3,4-thiadiazole-2,5-diamine?
2-N-[(3R)-1-hydroxypyrrolidin-3-yl]-1,3,4-thiadiazole-2,5-diamine has a molecular weight of 201.25 g/mol, XLogP of -0.00, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3R)-1-hydroxypyrrolidin-3-yl]-1,3,4-thiadiazole-2,5-diamine is sourced from PubChem (CID 118554604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).