1-(2-methoxyethyl)-4-(thiadiazol-4-yl)pyrrolidin-3-amine

C9H16N4OS — CID 118128517

IUPAC1-(2-methoxyethyl)-4-(thiadiazol-4-yl)pyrrolidin-3-amine
SMILESCOCCN1CC(N)C(c2csnn2)C1
InChIInChI=1S/C9H16N4OS/c1-14-3-2-13-4-7(8(10)5-13)9-6-15-12-11-9/h6-8H,2-5,10H2,1H3
InChIKeyBCNUXWFFWOIKNX-UHFFFAOYSA-N
MW228.32 g/mol
LogP-0.09
Rot. Bonds4

About 1-(2-methoxyethyl)-4-(thiadiazol-4-yl)pyrrolidin-3-amine

1-(2-methoxyethyl)-4-(thiadiazol-4-yl)pyrrolidin-3-amine (PubChem CID 118128517) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-(thiadiazol-4-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-(thiadiazol-4-yl)pyrrolidin-3-amine
PubChem CID118128517
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name1-(2-methoxyethyl)-4-(thiadiazol-4-yl)pyrrolidin-3-amine
SMILESCOCCN1CC(N)C(c2csnn2)C1
InChIInChI=1S/C9H16N4OS/c1-14-3-2-13-4-7(8(10)5-13)9-6-15-12-11-9/h6-8H,2-5,10H2,1H3
InChIKeyBCNUXWFFWOIKNX-UHFFFAOYSA-N
XLogP-0.09
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-(thiadiazol-4-yl)pyrrolidin-3-amine?
The IUPAC name of 1-(2-methoxyethyl)-4-(thiadiazol-4-yl)pyrrolidin-3-amine (CID 118128517) is 1-(2-methoxyethyl)-4-(thiadiazol-4-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-4-(thiadiazol-4-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-(2-methoxyethyl)-4-(thiadiazol-4-yl)pyrrolidin-3-amine is COCCN1CC(N)C(c2csnn2)C1.
What is the InChIKey of 1-(2-methoxyethyl)-4-(thiadiazol-4-yl)pyrrolidin-3-amine?
The InChIKey is BCNUXWFFWOIKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-14-3-2-13-4-7(8(10)5-13)9-6-15-12-11-9/h6-8H,2-5,10H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-4-(thiadiazol-4-yl)pyrrolidin-3-amine?
1-(2-methoxyethyl)-4-(thiadiazol-4-yl)pyrrolidin-3-amine has a molecular weight of 228.32 g/mol, XLogP of -0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-(thiadiazol-4-yl)pyrrolidin-3-amine is sourced from PubChem (CID 118128517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).