5-methyl-N-propyl-N-pyrrolidin-3-yl-1,3,4-thiadiazol-2-amine

C10H18N4S — CID 65208042

IUPAC5-methyl-N-propyl-N-pyrrolidin-3-yl-1,3,4-thiadiazol-2-amine
SMILESCCCN(c1nnc(C)s1)C1CCNC1
InChIInChI=1S/C10H18N4S/c1-3-6-14(9-4-5-11-7-9)10-13-12-8(2)15-10/h9,11H,3-7H2,1-2H3
InChIKeyAXFLDYKATQLBKO-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.42
Rot. Bonds4

About 5-methyl-N-propyl-N-pyrrolidin-3-yl-1,3,4-thiadiazol-2-amine

5-methyl-N-propyl-N-pyrrolidin-3-yl-1,3,4-thiadiazol-2-amine (PubChem CID 65208042) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 5-methyl-N-propyl-N-pyrrolidin-3-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-propyl-N-pyrrolidin-3-yl-1,3,4-thiadiazol-2-amine
PubChem CID65208042
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name5-methyl-N-propyl-N-pyrrolidin-3-yl-1,3,4-thiadiazol-2-amine
SMILESCCCN(c1nnc(C)s1)C1CCNC1
InChIInChI=1S/C10H18N4S/c1-3-6-14(9-4-5-11-7-9)10-13-12-8(2)15-10/h9,11H,3-7H2,1-2H3
InChIKeyAXFLDYKATQLBKO-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-propyl-N-pyrrolidin-3-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-propyl-N-pyrrolidin-3-yl-1,3,4-thiadiazol-2-amine (CID 65208042) is 5-methyl-N-propyl-N-pyrrolidin-3-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-propyl-N-pyrrolidin-3-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-propyl-N-pyrrolidin-3-yl-1,3,4-thiadiazol-2-amine is CCCN(c1nnc(C)s1)C1CCNC1.
What is the InChIKey of 5-methyl-N-propyl-N-pyrrolidin-3-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is AXFLDYKATQLBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-3-6-14(9-4-5-11-7-9)10-13-12-8(2)15-10/h9,11H,3-7H2,1-2H3.
What are the key properties of 5-methyl-N-propyl-N-pyrrolidin-3-yl-1,3,4-thiadiazol-2-amine?
5-methyl-N-propyl-N-pyrrolidin-3-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 226.35 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-propyl-N-pyrrolidin-3-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 65208042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).