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

C9H17N5OS — CID 66281221

IUPAC1-(3-amino-1,2,4-thiadiazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1c1nc(N)ns1
InChIInChI=1S/C9H17N5OS/c1-13(2)4-6-3-7(15)5-14(6)9-11-8(10)12-16-9/h6-7,15H,3-5H2,1-2H3,(H2,10,12)
InChIKeyMUXKLARWMSCYIQ-UHFFFAOYSA-N
MW243.34 g/mol
LogP-0.38
Rot. Bonds3

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

1-(3-amino-1,2,4-thiadiazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol (PubChem CID 66281221) has the molecular formula C9H17N5OS and a molecular weight of 243.34 g/mol. Its IUPAC name is 1-(3-amino-1,2,4-thiadiazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3-amino-1,2,4-thiadiazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
PubChem CID66281221
Molecular FormulaC9H17N5OS
Molecular Weight243.34 g/mol
Exact Mass243.12
IUPAC Name1-(3-amino-1,2,4-thiadiazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1c1nc(N)ns1
InChIInChI=1S/C9H17N5OS/c1-13(2)4-6-3-7(15)5-14(6)9-11-8(10)12-16-9/h6-7,15H,3-5H2,1-2H3,(H2,10,12)
InChIKeyMUXKLARWMSCYIQ-UHFFFAOYSA-N
XLogP-0.38
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1,2,4-thiadiazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-(3-amino-1,2,4-thiadiazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol (CID 66281221) is 1-(3-amino-1,2,4-thiadiazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-(3-amino-1,2,4-thiadiazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-(3-amino-1,2,4-thiadiazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol is CN(C)CC1CC(O)CN1c1nc(N)ns1.
What is the InChIKey of 1-(3-amino-1,2,4-thiadiazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The InChIKey is MUXKLARWMSCYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5OS/c1-13(2)4-6-3-7(15)5-14(6)9-11-8(10)12-16-9/h6-7,15H,3-5H2,1-2H3,(H2,10,12).
What are the key properties of 1-(3-amino-1,2,4-thiadiazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
1-(3-amino-1,2,4-thiadiazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol has a molecular weight of 243.34 g/mol, XLogP of -0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1,2,4-thiadiazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66281221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).