3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine

C10H18N4S — CID 65268218

IUPAC3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC(C)CN2CCCC2)n1
InChIInChI=1S/C10H18N4S/c1-8(7-14-5-3-4-6-14)11-10-12-9(2)13-15-10/h8H,3-7H2,1-2H3,(H,11,12,13)
InChIKeyOIFXJUCAAJWGCC-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.74
Rot. Bonds4

About 3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine

3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 65268218) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine
PubChem CID65268218
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC(C)CN2CCCC2)n1
InChIInChI=1S/C10H18N4S/c1-8(7-14-5-3-4-6-14)11-10-12-9(2)13-15-10/h8H,3-7H2,1-2H3,(H,11,12,13)
InChIKeyOIFXJUCAAJWGCC-UHFFFAOYSA-N
XLogP1.74
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine (CID 65268218) is 3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine is Cc1nsc(NC(C)CN2CCCC2)n1.
What is the InChIKey of 3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is OIFXJUCAAJWGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-8(7-14-5-3-4-6-14)11-10-12-9(2)13-15-10/h8H,3-7H2,1-2H3,(H,11,12,13).
What are the key properties of 3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine?
3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 226.35 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).