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

C16H18N4O2S — CID 39516489

IUPAC4-ethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C16H18N4O2S/c1-2-13-15(23-19-18-13)16(22)17-10-11-5-3-6-12(9-11)20-8-4-7-14(20)21/h3,5-6,9H,2,4,7-8,10H2,1H3,(H,17,22)
InChIKeyBKPOWAOYQAGCCO-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.16
Rot. Bonds5

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

4-ethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiadiazole-5-carboxamide (PubChem CID 39516489) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 4-ethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiadiazole-5-carboxamide
PubChem CID39516489
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name4-ethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C16H18N4O2S/c1-2-13-15(23-19-18-13)16(22)17-10-11-5-3-6-12(9-11)20-8-4-7-14(20)21/h3,5-6,9H,2,4,7-8,10H2,1H3,(H,17,22)
InChIKeyBKPOWAOYQAGCCO-UHFFFAOYSA-N
XLogP2.16
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-oxopyrrolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 39003599
3,6-dichloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-2-carboxamide
CID 39516427
1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one
CID 63272633
3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 39004153
N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 71886757
5-methyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 39003298
(2R)-2-methylsulfonyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 94249524
2-amino-4-ethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 77098065
4-amino-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide;hydrochloride
CID 120560369
2-amino-2-(4-methylphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide;hydrochloride
CID 120667367
1,3,5-trimethyl-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 51092564
5-cyclopropyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 39516950

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiadiazole-5-carboxamide (CID 39516489) is 4-ethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)NCc1cccc(N2CCCC2=O)c1.
What is the InChIKey of 4-ethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiadiazole-5-carboxamide?
The InChIKey is BKPOWAOYQAGCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-2-13-15(23-19-18-13)16(22)17-10-11-5-3-6-12(9-11)20-8-4-7-14(20)21/h3,5-6,9H,2,4,7-8,10H2,1H3,(H,17,22).
What are the key properties of 4-ethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiadiazole-5-carboxamide?
4-ethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiadiazole-5-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 39516489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).