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

C11H16N4O2S — CID 71807161

IUPAC3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2,4-thiadiazole-5-carboxamide
SMILESCc1nsc(C(=O)NCCCN2CCCC2=O)n1
InChIInChI=1S/C11H16N4O2S/c1-8-13-11(18-14-8)10(17)12-5-3-7-15-6-2-4-9(15)16/h2-7H2,1H3,(H,12,17)
InChIKeyLSEYEAFJFDLCKV-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.59
Rot. Bonds5

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

3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2,4-thiadiazole-5-carboxamide (PubChem CID 71807161) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2,4-thiadiazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2,4-thiadiazole-5-carboxamide
PubChem CID71807161
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2,4-thiadiazole-5-carboxamide
SMILESCc1nsc(C(=O)NCCCN2CCCC2=O)n1
InChIInChI=1S/C11H16N4O2S/c1-8-13-11(18-14-8)10(17)12-5-3-7-15-6-2-4-9(15)16/h2-7H2,1H3,(H,12,17)
InChIKeyLSEYEAFJFDLCKV-UHFFFAOYSA-N
XLogP0.59
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 72894736
1,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide;hydrochloride
CID 45284452
N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 123515256
5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-3-carboxamide
CID 2225281
2-N-(4-methoxyphenyl)-5-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353639
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 63048000
2,6-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide
CID 30482177
N'-(2-methoxyethyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
CID 45497345
4-methyl-2-(5-methylfuran-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
CID 38409110
6-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide
CID 62233313
3-chloro-4-iodo-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 103734648
4-chloro-1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-5-carboxamide
CID 6464749

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2,4-thiadiazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2,4-thiadiazole-5-carboxamide (CID 71807161) is 3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2,4-thiadiazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2,4-thiadiazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2,4-thiadiazole-5-carboxamide is Cc1nsc(C(=O)NCCCN2CCCC2=O)n1.
What is the InChIKey of 3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2,4-thiadiazole-5-carboxamide?
The InChIKey is LSEYEAFJFDLCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-8-13-11(18-14-8)10(17)12-5-3-7-15-6-2-4-9(15)16/h2-7H2,1H3,(H,12,17).
What are the key properties of 3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2,4-thiadiazole-5-carboxamide?
3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2,4-thiadiazole-5-carboxamide has a molecular weight of 268.34 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2,4-thiadiazole-5-carboxamide is sourced from PubChem (CID 71807161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).