2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide

C13H21N3OS — CID 143940533

IUPAC2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESCc1nc(CC(=O)NCCN2CCCC2)c(C)s1
InChIInChI=1S/C13H21N3OS/c1-10-12(15-11(2)18-10)9-13(17)14-5-8-16-6-3-4-7-16/h3-9H2,1-2H3,(H,14,17)
InChIKeyFPEYKUGNELIYDL-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.51
Rot. Bonds5

About 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide

2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 143940533) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
PubChem CID143940533
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESCc1nc(CC(=O)NCCN2CCCC2)c(C)s1
InChIInChI=1S/C13H21N3OS/c1-10-12(15-11(2)18-10)9-13(17)14-5-8-16-6-3-4-7-16/h3-9H2,1-2H3,(H,14,17)
InChIKeyFPEYKUGNELIYDL-UHFFFAOYSA-N
XLogP1.51
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-Ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(1-propan-2-ylpyrrolidin-3-yl)urea
CID 53557038
N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]cyclopropanecarboxamide
CID 56823158
1-(1-Tert-butyl-5-oxopyrrolidin-3-yl)-3-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]urea
CID 71861156
1-[2-(4-Ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(1-methyl-6-oxopiperidin-3-yl)urea
CID 72129821
3-(4-methyl-1,3-thiazol-5-yl)-N-[2-(1-pyrrolidinyl)ethyl]propanamide
CID 70776471
1-acetyl-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxamide
CID 72104563
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4S)-4-methoxypyrrolidin-3-yl]acetamide
CID 91660071
2-(2,5-Dimethyl-1,3-thiazol-4-YL)-N-[2-(2-oxoimidazolidin-1-YL)ethyl]acetamide
CID 91831429
1-[(2,5-Dimethyl-1,3-thiazol-4-yl)acetyl]-4-(trifluoroacetyl)-1,4-diazepane
CID 91841919
N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 125162519
1-(1,4-Diazabicyclo[3.2.1]octan-4-yl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)ethanone
CID 138035783
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110395134

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide (CID 143940533) is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide is Cc1nc(CC(=O)NCCN2CCCC2)c(C)s1.
What is the InChIKey of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is FPEYKUGNELIYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-10-12(15-11(2)18-10)9-13(17)14-5-8-16-6-3-4-7-16/h3-9H2,1-2H3,(H,14,17).
What are the key properties of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide?
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 267.40 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 143940533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).