4-(hydroxymethyl)-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-ol

C8H13N3O2S — CID 131142933

IUPAC4-(hydroxymethyl)-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-ol
SMILESOCC1CN(Cc2csnn2)CC1O
InChIInChI=1S/C8H13N3O2S/c12-4-6-1-11(3-8(6)13)2-7-5-14-10-9-7/h5-6,8,12-13H,1-4H2
InChIKeyLAVDCEJNHILMSW-UHFFFAOYSA-N
MW215.28 g/mol
LogP-0.68
Rot. Bonds3

About 4-(hydroxymethyl)-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-ol

4-(hydroxymethyl)-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-ol (PubChem CID 131142933) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-ol
PubChem CID131142933
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name4-(hydroxymethyl)-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-ol
SMILESOCC1CN(Cc2csnn2)CC1O
InChIInChI=1S/C8H13N3O2S/c12-4-6-1-11(3-8(6)13)2-7-5-14-10-9-7/h5-6,8,12-13H,1-4H2
InChIKeyLAVDCEJNHILMSW-UHFFFAOYSA-N
XLogP-0.68
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of 4-(hydroxymethyl)-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-ol (CID 131142933) is 4-(hydroxymethyl)-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for 4-(hydroxymethyl)-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for 4-(hydroxymethyl)-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-ol is OCC1CN(Cc2csnn2)CC1O.
What is the InChIKey of 4-(hydroxymethyl)-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-ol?
The InChIKey is LAVDCEJNHILMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c12-4-6-1-11(3-8(6)13)2-7-5-14-10-9-7/h5-6,8,12-13H,1-4H2.
What are the key properties of 4-(hydroxymethyl)-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-ol?
4-(hydroxymethyl)-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-ol has a molecular weight of 215.28 g/mol, XLogP of -0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 131142933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).