1,2-dimethyl-2-(1,2,4-thiadiazol-5-yl)pyrrolidin-3-amine

C8H14N4S — CID 112709840

IUPAC1,2-dimethyl-2-(1,2,4-thiadiazol-5-yl)pyrrolidin-3-amine
SMILESCN1CCC(N)C1(C)c1ncns1
InChIInChI=1S/C8H14N4S/c1-8(7-10-5-11-13-7)6(9)3-4-12(8)2/h5-6H,3-4,9H2,1-2H3
InChIKeyDVPGTSQBHBKKOJ-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.42
Rot. Bonds1

About 1,2-dimethyl-2-(1,2,4-thiadiazol-5-yl)pyrrolidin-3-amine

1,2-dimethyl-2-(1,2,4-thiadiazol-5-yl)pyrrolidin-3-amine (PubChem CID 112709840) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is 1,2-dimethyl-2-(1,2,4-thiadiazol-5-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1,2-dimethyl-2-(1,2,4-thiadiazol-5-yl)pyrrolidin-3-amine
PubChem CID112709840
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name1,2-dimethyl-2-(1,2,4-thiadiazol-5-yl)pyrrolidin-3-amine
SMILESCN1CCC(N)C1(C)c1ncns1
InChIInChI=1S/C8H14N4S/c1-8(7-10-5-11-13-7)6(9)3-4-12(8)2/h5-6H,3-4,9H2,1-2H3
InChIKeyDVPGTSQBHBKKOJ-UHFFFAOYSA-N
XLogP0.42
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-2-(1,2,4-thiadiazol-5-yl)pyrrolidin-3-amine?
The IUPAC name of 1,2-dimethyl-2-(1,2,4-thiadiazol-5-yl)pyrrolidin-3-amine (CID 112709840) is 1,2-dimethyl-2-(1,2,4-thiadiazol-5-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1,2-dimethyl-2-(1,2,4-thiadiazol-5-yl)pyrrolidin-3-amine?
The canonical SMILES for 1,2-dimethyl-2-(1,2,4-thiadiazol-5-yl)pyrrolidin-3-amine is CN1CCC(N)C1(C)c1ncns1.
What is the InChIKey of 1,2-dimethyl-2-(1,2,4-thiadiazol-5-yl)pyrrolidin-3-amine?
The InChIKey is DVPGTSQBHBKKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-8(7-10-5-11-13-7)6(9)3-4-12(8)2/h5-6H,3-4,9H2,1-2H3.
What are the key properties of 1,2-dimethyl-2-(1,2,4-thiadiazol-5-yl)pyrrolidin-3-amine?
1,2-dimethyl-2-(1,2,4-thiadiazol-5-yl)pyrrolidin-3-amine has a molecular weight of 198.29 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-2-(1,2,4-thiadiazol-5-yl)pyrrolidin-3-amine is sourced from PubChem (CID 112709840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).