(3S,4R)-1-(2-methoxyethyl)-4-(1,3-thiazol-2-yl)pyrrolidin-3-amine

C10H17N3OS — CID 118128474

IUPAC(3S,4R)-1-(2-methoxyethyl)-4-(1,3-thiazol-2-yl)pyrrolidin-3-amine
SMILESCOCCN1C[C@@H](N)[C@H](c2nccs2)C1
InChIInChI=1S/C10H17N3OS/c1-14-4-3-13-6-8(9(11)7-13)10-12-2-5-15-10/h2,5,8-9H,3-4,6-7,11H2,1H3/t8-,9-/m1/s1
InChIKeyZEAWHXCOUVFPEO-RKDXNWHRSA-N
MW227.33 g/mol
LogP0.52
Rot. Bonds4

About (3S,4R)-1-(2-methoxyethyl)-4-(1,3-thiazol-2-yl)pyrrolidin-3-amine

(3S,4R)-1-(2-methoxyethyl)-4-(1,3-thiazol-2-yl)pyrrolidin-3-amine (PubChem CID 118128474) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is (3S,4R)-1-(2-methoxyethyl)-4-(1,3-thiazol-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-1-(2-methoxyethyl)-4-(1,3-thiazol-2-yl)pyrrolidin-3-amine
PubChem CID118128474
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name(3S,4R)-1-(2-methoxyethyl)-4-(1,3-thiazol-2-yl)pyrrolidin-3-amine
SMILESCOCCN1C[C@@H](N)[C@H](c2nccs2)C1
InChIInChI=1S/C10H17N3OS/c1-14-4-3-13-6-8(9(11)7-13)10-12-2-5-15-10/h2,5,8-9H,3-4,6-7,11H2,1H3/t8-,9-/m1/s1
InChIKeyZEAWHXCOUVFPEO-RKDXNWHRSA-N
XLogP0.52
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(2-methoxyethyl)-4-(1,3-thiazol-2-yl)pyrrolidin-3-amine?
The IUPAC name of (3S,4R)-1-(2-methoxyethyl)-4-(1,3-thiazol-2-yl)pyrrolidin-3-amine (CID 118128474) is (3S,4R)-1-(2-methoxyethyl)-4-(1,3-thiazol-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-1-(2-methoxyethyl)-4-(1,3-thiazol-2-yl)pyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-1-(2-methoxyethyl)-4-(1,3-thiazol-2-yl)pyrrolidin-3-amine is COCCN1C[C@@H](N)[C@H](c2nccs2)C1.
What is the InChIKey of (3S,4R)-1-(2-methoxyethyl)-4-(1,3-thiazol-2-yl)pyrrolidin-3-amine?
The InChIKey is ZEAWHXCOUVFPEO-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-14-4-3-13-6-8(9(11)7-13)10-12-2-5-15-10/h2,5,8-9H,3-4,6-7,11H2,1H3/t8-,9-/m1/s1.
What are the key properties of (3S,4R)-1-(2-methoxyethyl)-4-(1,3-thiazol-2-yl)pyrrolidin-3-amine?
(3S,4R)-1-(2-methoxyethyl)-4-(1,3-thiazol-2-yl)pyrrolidin-3-amine has a molecular weight of 227.33 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(2-methoxyethyl)-4-(1,3-thiazol-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 118128474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).