2-(aminomethyl)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-1,3-thiazole-4-carboxamide

C16H17FN4O2S — CID 129414917

IUPAC2-(aminomethyl)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(C(=O)c1csc(CN)n1)[C@@H]1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C16H17FN4O2S/c1-20(15(22)11-9-24-14(8-18)19-11)13-6-7-21(16(13)23)12-5-3-2-4-10(12)17/h2-5,9,13H,6-8,18H2,1H3/t13-/m1/s1
InChIKeyKIQLSDQSCHHAGO-CYBMUJFWSA-N
MW348.40 g/mol
LogP1.62
Rot. Bonds4

About 2-(aminomethyl)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 129414917) has the molecular formula C16H17FN4O2S and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID129414917
Molecular FormulaC16H17FN4O2S
Molecular Weight348.40 g/mol
Exact Mass348.11
IUPAC Name2-(aminomethyl)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(C(=O)c1csc(CN)n1)[C@@H]1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C16H17FN4O2S/c1-20(15(22)11-9-24-14(8-18)19-11)13-6-7-21(16(13)23)12-5-3-2-4-10(12)17/h2-5,9,13H,6-8,18H2,1H3/t13-/m1/s1
InChIKeyKIQLSDQSCHHAGO-CYBMUJFWSA-N
XLogP1.62
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-1,3-thiazole-4-carboxamide (CID 129414917) is 2-(aminomethyl)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-1,3-thiazole-4-carboxamide is CN(C(=O)c1csc(CN)n1)[C@@H]1CCN(c2ccccc2F)C1=O.
What is the InChIKey of 2-(aminomethyl)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is KIQLSDQSCHHAGO-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17FN4O2S/c1-20(15(22)11-9-24-14(8-18)19-11)13-6-7-21(16(13)23)12-5-3-2-4-10(12)17/h2-5,9,13H,6-8,18H2,1H3/t13-/m1/s1.
What are the key properties of 2-(aminomethyl)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 129414917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).