3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidin-3-amine

C16H29N3OS — CID 62543138

IUPAC3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidin-3-amine
SMILESCCc1nc(C2(NCCOC)CCN(C(C)C)C2)sc1C
InChIInChI=1S/C16H29N3OS/c1-6-14-13(4)21-15(18-14)16(17-8-10-20-5)7-9-19(11-16)12(2)3/h12,17H,6-11H2,1-5H3
InChIKeyWAVVZVSDWVOZFC-UHFFFAOYSA-N
MW311.50 g/mol
LogP2.56
Rot. Bonds7

About 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidin-3-amine

3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidin-3-amine (PubChem CID 62543138) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidin-3-amine
PubChem CID62543138
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC Name3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidin-3-amine
SMILESCCc1nc(C2(NCCOC)CCN(C(C)C)C2)sc1C
InChIInChI=1S/C16H29N3OS/c1-6-14-13(4)21-15(18-14)16(17-8-10-20-5)7-9-19(11-16)12(2)3/h12,17H,6-11H2,1-5H3
InChIKeyWAVVZVSDWVOZFC-UHFFFAOYSA-N
XLogP2.56
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 52.56
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 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidin-3-amine (CID 62543138) is 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidin-3-amine is CCc1nc(C2(NCCOC)CCN(C(C)C)C2)sc1C.
What is the InChIKey of 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidin-3-amine?
The InChIKey is WAVVZVSDWVOZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-6-14-13(4)21-15(18-14)16(17-8-10-20-5)7-9-19(11-16)12(2)3/h12,17H,6-11H2,1-5H3.
What are the key properties of 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidin-3-amine?
3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidin-3-amine has a molecular weight of 311.50 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 62543138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).