2-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethylamino]-1-pyrrolidin-1-ylethanone

C18H23N3OS — CID 141089138

IUPAC2-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethylamino]-1-pyrrolidin-1-ylethanone
SMILESCc1sc(-c2ccccc2)nc1CCNCC(=O)N1CCCC1
InChIInChI=1S/C18H23N3OS/c1-14-16(20-18(23-14)15-7-3-2-4-8-15)9-10-19-13-17(22)21-11-5-6-12-21/h2-4,7-8,19H,5-6,9-13H2,1H3
InChIKeySANBYMWPVRQZOE-UHFFFAOYSA-N
MW329.47 g/mol
LogP2.87
Rot. Bonds6

About 2-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethylamino]-1-pyrrolidin-1-ylethanone

2-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethylamino]-1-pyrrolidin-1-ylethanone (PubChem CID 141089138) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethylamino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethylamino]-1-pyrrolidin-1-ylethanone
PubChem CID141089138
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name2-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethylamino]-1-pyrrolidin-1-ylethanone
SMILESCc1sc(-c2ccccc2)nc1CCNCC(=O)N1CCCC1
InChIInChI=1S/C18H23N3OS/c1-14-16(20-18(23-14)15-7-3-2-4-8-15)9-10-19-13-17(22)21-11-5-6-12-21/h2-4,7-8,19H,5-6,9-13H2,1H3
InChIKeySANBYMWPVRQZOE-UHFFFAOYSA-N
XLogP2.87
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethylamino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethylamino]-1-pyrrolidin-1-ylethanone (CID 141089138) is 2-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethylamino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethylamino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethylamino]-1-pyrrolidin-1-ylethanone is Cc1sc(-c2ccccc2)nc1CCNCC(=O)N1CCCC1.
What is the InChIKey of 2-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethylamino]-1-pyrrolidin-1-ylethanone?
The InChIKey is SANBYMWPVRQZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-14-16(20-18(23-14)15-7-3-2-4-8-15)9-10-19-13-17(22)21-11-5-6-12-21/h2-4,7-8,19H,5-6,9-13H2,1H3.
What are the key properties of 2-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethylamino]-1-pyrrolidin-1-ylethanone?
2-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethylamino]-1-pyrrolidin-1-ylethanone has a molecular weight of 329.47 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethylamino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 141089138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).