N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-pyrrolidin-2-ylacetamide

C16H19N3OS — CID 61364047

IUPACN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-pyrrolidin-2-ylacetamide
SMILESCc1nc(-c2cccc(NC(=O)CC3CCCN3)c2)cs1
InChIInChI=1S/C16H19N3OS/c1-11-18-15(10-21-11)12-4-2-5-14(8-12)19-16(20)9-13-6-3-7-17-13/h2,4-5,8,10,13,17H,3,6-7,9H2,1H3,(H,19,20)
InChIKeyYNAARUZLLBAYRZ-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.20
Rot. Bonds4

About N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-pyrrolidin-2-ylacetamide

N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 61364047) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-pyrrolidin-2-ylacetamide
PubChem CID61364047
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC NameN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-pyrrolidin-2-ylacetamide
SMILESCc1nc(-c2cccc(NC(=O)CC3CCCN3)c2)cs1
InChIInChI=1S/C16H19N3OS/c1-11-18-15(10-21-11)12-4-2-5-14(8-12)19-16(20)9-13-6-3-7-17-13/h2,4-5,8,10,13,17H,3,6-7,9H2,1H3,(H,19,20)
InChIKeyYNAARUZLLBAYRZ-UHFFFAOYSA-N
XLogP3.20
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[(3R)-morpholin-3-yl]acetamide
CID 95720015
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119270940
(2S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119270942
N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119741040
2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994
N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670441
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 43707323
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 111427212
N-[3-(1-ethyltetrazol-5-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119795067
(2S,4S)-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
CID 120618174
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119676923
2-(3-methylpiperidin-1-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 46807539

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-pyrrolidin-2-ylacetamide (CID 61364047) is N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-pyrrolidin-2-ylacetamide is Cc1nc(-c2cccc(NC(=O)CC3CCCN3)c2)cs1.
What is the InChIKey of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is YNAARUZLLBAYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-11-18-15(10-21-11)12-4-2-5-14(8-12)19-16(20)9-13-6-3-7-17-13/h2,4-5,8,10,13,17H,3,6-7,9H2,1H3,(H,19,20).
What are the key properties of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-pyrrolidin-2-ylacetamide?
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 301.42 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 61364047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).