N-(2-methoxyethyl)-1-propan-2-yl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine

C13H23N3OS — CID 62542453

IUPACN-(2-methoxyethyl)-1-propan-2-yl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine
SMILESCOCCNC1(c2nccs2)CCN(C(C)C)C1
InChIInChI=1S/C13H23N3OS/c1-11(2)16-7-4-13(10-16,15-5-8-17-3)12-14-6-9-18-12/h6,9,11,15H,4-5,7-8,10H2,1-3H3
InChIKeyPWQBVDKPNITPIS-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.69
Rot. Bonds6

About N-(2-methoxyethyl)-1-propan-2-yl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine

N-(2-methoxyethyl)-1-propan-2-yl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine (PubChem CID 62542453) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-propan-2-yl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-propan-2-yl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine
PubChem CID62542453
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN-(2-methoxyethyl)-1-propan-2-yl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine
SMILESCOCCNC1(c2nccs2)CCN(C(C)C)C1
InChIInChI=1S/C13H23N3OS/c1-11(2)16-7-4-13(10-16,15-5-8-17-3)12-14-6-9-18-12/h6,9,11,15H,4-5,7-8,10H2,1-3H3
InChIKeyPWQBVDKPNITPIS-UHFFFAOYSA-N
XLogP1.69
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-propan-2-yl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine?
The IUPAC name of N-(2-methoxyethyl)-1-propan-2-yl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine (CID 62542453) is N-(2-methoxyethyl)-1-propan-2-yl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for N-(2-methoxyethyl)-1-propan-2-yl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine?
The canonical SMILES for N-(2-methoxyethyl)-1-propan-2-yl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine is COCCNC1(c2nccs2)CCN(C(C)C)C1.
What is the InChIKey of N-(2-methoxyethyl)-1-propan-2-yl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine?
The InChIKey is PWQBVDKPNITPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-11(2)16-7-4-13(10-16,15-5-8-17-3)12-14-6-9-18-12/h6,9,11,15H,4-5,7-8,10H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-1-propan-2-yl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine?
N-(2-methoxyethyl)-1-propan-2-yl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine has a molecular weight of 269.41 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-propan-2-yl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 62542453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).