N-(3-methylbutyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide

C14H21N3O2S — CID 18200146

IUPACN-(3-methylbutyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
SMILESCC(C)CCNC(=O)Cc1csc(N2CCCC2=O)n1
InChIInChI=1S/C14H21N3O2S/c1-10(2)5-6-15-12(18)8-11-9-20-14(16-11)17-7-3-4-13(17)19/h9-10H,3-8H2,1-2H3,(H,15,18)
InChIKeyICMSOCWIQWJVEL-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.97
Rot. Bonds6

About N-(3-methylbutyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide

N-(3-methylbutyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 18200146) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID18200146
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-(3-methylbutyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
SMILESCC(C)CCNC(=O)Cc1csc(N2CCCC2=O)n1
InChIInChI=1S/C14H21N3O2S/c1-10(2)5-6-15-12(18)8-11-9-20-14(16-11)17-7-3-4-13(17)19/h9-10H,3-8H2,1-2H3,(H,15,18)
InChIKeyICMSOCWIQWJVEL-UHFFFAOYSA-N
XLogP1.97
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 2524078
N-(cyclohexylmethyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 17540966
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 45813059
tert-butyl N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]carbamate
CID 53624906
2-(diethylamino)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 56792319
N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-1-isopropyl-5-oxo-3-pyrrolidinecarboxamide
CID 70708028
2-(2-methyl-1,3-thiazol-4-yl)-N-{[2-(1-pyrrolidinyl)-1,3-thiazol-4-yl]methyl}acetamide
CID 70733192
1-(1-Tert-butyl-5-oxopyrrolidin-3-yl)-3-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]urea
CID 71924022
3-propan-2-yloxy-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 71930766
1-Ethyl-3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]urea
CID 71994522
2-tert-butylsulfanyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 72010286
2-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pent-2-enamide
CID 72042187

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(3-methylbutyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide (CID 18200146) is N-(3-methylbutyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide is CC(C)CCNC(=O)Cc1csc(N2CCCC2=O)n1.
What is the InChIKey of N-(3-methylbutyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is ICMSOCWIQWJVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-10(2)5-6-15-12(18)8-11-9-20-14(16-11)17-7-3-4-13(17)19/h9-10H,3-8H2,1-2H3,(H,15,18).
What are the key properties of N-(3-methylbutyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
N-(3-methylbutyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 295.41 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 18200146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).