2-amino-4-ethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide

C17H20N4O2S — CID 77098065

IUPAC2-amino-4-ethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCCc1nc(N)sc1C(=O)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C17H20N4O2S/c1-2-13-15(24-17(18)20-13)16(23)19-10-11-5-7-12(8-6-11)21-9-3-4-14(21)22/h5-8H,2-4,9-10H2,1H3,(H2,18,20)(H,19,23)
InChIKeyWEZJGNZLORVSQF-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.34
Rot. Bonds5

About 2-amino-4-ethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide

2-amino-4-ethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 77098065) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-amino-4-ethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-ethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID77098065
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name2-amino-4-ethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCCc1nc(N)sc1C(=O)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C17H20N4O2S/c1-2-13-15(24-17(18)20-13)16(23)19-10-11-5-7-12(8-6-11)21-9-3-4-14(21)22/h5-8H,2-4,9-10H2,1H3,(H2,18,20)(H,19,23)
InChIKeyWEZJGNZLORVSQF-UHFFFAOYSA-N
XLogP2.34
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 155508603
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
2,5-dimethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiophene-3-carboxamide
CID 39997103
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216
2-methylsulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 8589226
5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-thiazole-4-carboxamide
CID 154845834
2-amino-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
CID 77089489
2-(2-aminoethyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 120618851
4-ethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiadiazole-5-carboxamide
CID 39516489
2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24622415
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-2-carboxamide
CID 8588320
4-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]phenoxy]benzamide
CID 56545380

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-ethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-4-ethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide (CID 77098065) is 2-amino-4-ethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-4-ethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-4-ethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide is CCc1nc(N)sc1C(=O)NCc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 2-amino-4-ethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is WEZJGNZLORVSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-2-13-15(24-17(18)20-13)16(23)19-10-11-5-7-12(8-6-11)21-9-3-4-14(21)22/h5-8H,2-4,9-10H2,1H3,(H2,18,20)(H,19,23).
What are the key properties of 2-amino-4-ethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
2-amino-4-ethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-ethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 77098065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).