1-N-(4-fluorophenyl)-1-N-methyl-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide

C16H17FN4O2S — CID 86818508

IUPAC1-N-(4-fluorophenyl)-1-N-methyl-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide
SMILESCN(C(=O)N1CCCC1C(=O)Nc1nccs1)c1ccc(F)cc1
InChIInChI=1S/C16H17FN4O2S/c1-20(12-6-4-11(17)5-7-12)16(23)21-9-2-3-13(21)14(22)19-15-18-8-10-24-15/h4-8,10,13H,2-3,9H2,1H3,(H,18,19,22)
InChIKeyDVPQUNWZVPFYAI-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.94
Rot. Bonds3

About 1-N-(4-fluorophenyl)-1-N-methyl-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide

1-N-(4-fluorophenyl)-1-N-methyl-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide (PubChem CID 86818508) has the molecular formula C16H17FN4O2S and a molecular weight of 348.40 g/mol. Its IUPAC name is 1-N-(4-fluorophenyl)-1-N-methyl-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-fluorophenyl)-1-N-methyl-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide
PubChem CID86818508
Molecular FormulaC16H17FN4O2S
Molecular Weight348.40 g/mol
Exact Mass348.11
IUPAC Name1-N-(4-fluorophenyl)-1-N-methyl-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide
SMILESCN(C(=O)N1CCCC1C(=O)Nc1nccs1)c1ccc(F)cc1
InChIInChI=1S/C16H17FN4O2S/c1-20(12-6-4-11(17)5-7-12)16(23)21-9-2-3-13(21)14(22)19-15-18-8-10-24-15/h4-8,10,13H,2-3,9H2,1H3,(H,18,19,22)
InChIKeyDVPQUNWZVPFYAI-UHFFFAOYSA-N
XLogP2.94
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylsulfanylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 78864863
N-(1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4883035
1-(2-methylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 46758046
(2S)-1-(5-bromo-2-fluorobenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 51935113
(2R)-1-(5-bromo-2-fluorobenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 51935112
1-[4-(2-methylpropanoylamino)benzoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 55669534
1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 120635830
1-(4-aminopentanoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide;dihydrochloride
CID 120564792
1-[2-(5-methylthiophen-2-yl)acetyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 136579036
(2R)-1-(2-oxo-1H-pyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 95286227
1-[2-(4-acetamidophenyl)sulfanylpropanoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 55872324
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 47019585

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-fluorophenyl)-1-N-methyl-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(4-fluorophenyl)-1-N-methyl-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide (CID 86818508) is 1-N-(4-fluorophenyl)-1-N-methyl-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(4-fluorophenyl)-1-N-methyl-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(4-fluorophenyl)-1-N-methyl-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide is CN(C(=O)N1CCCC1C(=O)Nc1nccs1)c1ccc(F)cc1.
What is the InChIKey of 1-N-(4-fluorophenyl)-1-N-methyl-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is DVPQUNWZVPFYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2S/c1-20(12-6-4-11(17)5-7-12)16(23)21-9-2-3-13(21)14(22)19-15-18-8-10-24-15/h4-8,10,13H,2-3,9H2,1H3,(H,18,19,22).
What are the key properties of 1-N-(4-fluorophenyl)-1-N-methyl-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide?
1-N-(4-fluorophenyl)-1-N-methyl-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 348.40 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-fluorophenyl)-1-N-methyl-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 86818508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).