N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylacetamide

C17H21N3OS — CID 1253718

IUPACN-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylacetamide
SMILESCCc1sc(NC(=O)CN2CCCC2)nc1-c1ccccc1
InChIInChI=1S/C17H21N3OS/c1-2-14-16(13-8-4-3-5-9-13)19-17(22-14)18-15(21)12-20-10-6-7-11-20/h3-5,8-9H,2,6-7,10-12H2,1H3,(H,18,19,21)
InChIKeyAUBXDHDOXYZGOM-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.41
Rot. Bonds5

About N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylacetamide

N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylacetamide (PubChem CID 1253718) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylacetamide
PubChem CID1253718
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylacetamide
SMILESCCc1sc(NC(=O)CN2CCCC2)nc1-c1ccccc1
InChIInChI=1S/C17H21N3OS/c1-2-14-16(13-8-4-3-5-9-13)19-17(22-14)18-15(21)12-20-10-6-7-11-20/h3-5,8-9H,2,6-7,10-12H2,1H3,(H,18,19,21)
InChIKeyAUBXDHDOXYZGOM-UHFFFAOYSA-N
XLogP3.41
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylacetamide (CID 1253718) is N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylacetamide is CCc1sc(NC(=O)CN2CCCC2)nc1-c1ccccc1.
What is the InChIKey of N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is AUBXDHDOXYZGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-2-14-16(13-8-4-3-5-9-13)19-17(22-14)18-15(21)12-20-10-6-7-11-20/h3-5,8-9H,2,6-7,10-12H2,1H3,(H,18,19,21).
What are the key properties of N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylacetamide?
N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 315.44 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 1253718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).