(5S)-5-methyl-N-[(2S)-1-(2-methylpyrrolidin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide

C16H22N4O4S — CID 153254154

IUPAC(5S)-5-methyl-N-[(2S)-1-(2-methylpyrrolidin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCC1CCCN1C(=O)[C@H](Cc1cscn1)NC(=O)C1NC(=O)O[C@H]1C
InChIInChI=1S/C16H22N4O4S/c1-9-4-3-5-20(9)15(22)12(6-11-7-25-8-17-11)18-14(21)13-10(2)24-16(23)19-13/h7-10,12-13H,3-6H2,1-2H3,(H,18,21)(H,19,23)/t9?,10-,12-,13?/m0/s1
InChIKeyWTXWDXWZGJGIHV-QCNJJUDDSA-N
MW366.44 g/mol
LogP0.68
Rot. Bonds5

About (5S)-5-methyl-N-[(2S)-1-(2-methylpyrrolidin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide

(5S)-5-methyl-N-[(2S)-1-(2-methylpyrrolidin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 153254154) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is (5S)-5-methyl-N-[(2S)-1-(2-methylpyrrolidin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(5S)-5-methyl-N-[(2S)-1-(2-methylpyrrolidin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID153254154
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC Name(5S)-5-methyl-N-[(2S)-1-(2-methylpyrrolidin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCC1CCCN1C(=O)[C@H](Cc1cscn1)NC(=O)C1NC(=O)O[C@H]1C
InChIInChI=1S/C16H22N4O4S/c1-9-4-3-5-20(9)15(22)12(6-11-7-25-8-17-11)18-14(21)13-10(2)24-16(23)19-13/h7-10,12-13H,3-6H2,1-2H3,(H,18,21)(H,19,23)/t9?,10-,12-,13?/m0/s1
InChIKeyWTXWDXWZGJGIHV-QCNJJUDDSA-N
XLogP0.68
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5S)-5-methyl-N-[(2S)-1-(2-methylpyrrolidin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-N-[(2S)-1-(2-methylpyrrolidin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (5S)-5-methyl-N-[(2S)-1-(2-methylpyrrolidin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide (CID 153254154) is (5S)-5-methyl-N-[(2S)-1-(2-methylpyrrolidin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (5S)-5-methyl-N-[(2S)-1-(2-methylpyrrolidin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (5S)-5-methyl-N-[(2S)-1-(2-methylpyrrolidin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide is CC1CCCN1C(=O)[C@H](Cc1cscn1)NC(=O)C1NC(=O)O[C@H]1C.
What is the InChIKey of (5S)-5-methyl-N-[(2S)-1-(2-methylpyrrolidin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is WTXWDXWZGJGIHV-QCNJJUDDSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-9-4-3-5-20(9)15(22)12(6-11-7-25-8-17-11)18-14(21)13-10(2)24-16(23)19-13/h7-10,12-13H,3-6H2,1-2H3,(H,18,21)(H,19,23)/t9?,10-,12-,13?/m0/s1.
What are the key properties of (5S)-5-methyl-N-[(2S)-1-(2-methylpyrrolidin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide?
(5S)-5-methyl-N-[(2S)-1-(2-methylpyrrolidin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-N-[(2S)-1-(2-methylpyrrolidin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 153254154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).