1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-ol

C7H12N4OS — CID 80607045

IUPAC1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-ol
SMILESNc1nnc(CN2CCC(O)C2)s1
InChIInChI=1S/C7H12N4OS/c8-7-10-9-6(13-7)4-11-2-1-5(12)3-11/h5,12H,1-4H2,(H2,8,10)
InChIKeyAJGDCQLCSMNMGP-UHFFFAOYSA-N
MW200.27 g/mol
LogP-0.31
Rot. Bonds2

About 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-ol

1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-ol (PubChem CID 80607045) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-ol
PubChem CID80607045
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC Name1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-ol
SMILESNc1nnc(CN2CCC(O)C2)s1
InChIInChI=1S/C7H12N4OS/c8-7-10-9-6(13-7)4-11-2-1-5(12)3-11/h5,12H,1-4H2,(H2,8,10)
InChIKeyAJGDCQLCSMNMGP-UHFFFAOYSA-N
XLogP-0.31
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-ol (CID 80607045) is 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-ol is Nc1nnc(CN2CCC(O)C2)s1.
What is the InChIKey of 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-ol?
The InChIKey is AJGDCQLCSMNMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c8-7-10-9-6(13-7)4-11-2-1-5(12)3-11/h5,12H,1-4H2,(H2,8,10).
What are the key properties of 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-ol?
1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-ol has a molecular weight of 200.27 g/mol, XLogP of -0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 80607045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).