5-[2-[[(3Z)-3-[1-(dimethylamino)ethylidene]-4-propan-2-ylidenecyclopentyl]methylamino]ethyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one;molecular hydrogen

C25H39N5O3S — CID 156862537

IUPAC5-[2-[[(3Z)-3-[1-(dimethylamino)ethylidene]-4-propan-2-ylidenecyclopentyl]methylamino]ethyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one;molecular hydrogen
SMILESCC(C)=C1CC(CNCCC2CN(c3ccc4c(n3)NC(=O)CS4)C(=O)O2)C/C1=C(\C)N(C)C.[H][H].[H][H]
InChIInChI=1S/C25H35N5O3S.2H2/c1-15(2)19-10-17(11-20(19)16(3)29(4)5)12-26-9-8-18-13-30(25(32)33-18)22-7-6-21-24(27-22)28-23(31)14-34-21;;/h6-7,17-18,26H,8-14H2,1-5H3,(H,27,28,31);2*1H/b20-16-;;
InChIKeyRTSHVFBFMBLVAW-PFNMRQQASA-N
MW489.69 g/mol
LogP4.50
Rot. Bonds7

About 5-[2-[[(3Z)-3-[1-(dimethylamino)ethylidene]-4-propan-2-ylidenecyclopentyl]methylamino]ethyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one;molecular hydrogen

5-[2-[[(3Z)-3-[1-(dimethylamino)ethylidene]-4-propan-2-ylidenecyclopentyl]methylamino]ethyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one;molecular hydrogen (PubChem CID 156862537) has the molecular formula C25H39N5O3S and a molecular weight of 489.69 g/mol. Its IUPAC name is 5-[2-[[(3Z)-3-[1-(dimethylamino)ethylidene]-4-propan-2-ylidenecyclopentyl]methylamino]ethyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one;molecular hydrogen.

Molecular Properties

Compound Name5-[2-[[(3Z)-3-[1-(dimethylamino)ethylidene]-4-propan-2-ylidenecyclopentyl]methylamino]ethyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one;molecular hydrogen
PubChem CID156862537
Molecular FormulaC25H39N5O3S
Molecular Weight489.69 g/mol
Exact Mass489.28
IUPAC Name5-[2-[[(3Z)-3-[1-(dimethylamino)ethylidene]-4-propan-2-ylidenecyclopentyl]methylamino]ethyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one;molecular hydrogen
SMILESCC(C)=C1CC(CNCCC2CN(c3ccc4c(n3)NC(=O)CS4)C(=O)O2)C/C1=C(\C)N(C)C.[H][H].[H][H]
InChIInChI=1S/C25H35N5O3S.2H2/c1-15(2)19-10-17(11-20(19)16(3)29(4)5)12-26-9-8-18-13-30(25(32)33-18)22-7-6-21-24(27-22)28-23(31)14-34-21;;/h6-7,17-18,26H,8-14H2,1-5H3,(H,27,28,31);2*1H/b20-16-;;
InChIKeyRTSHVFBFMBLVAW-PFNMRQQASA-N
XLogP4.50
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.69
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[2-[[(3Z)-3-[1-(dimethylamino)ethylidene]-4-propan-2-ylidenecyclopentyl]methylamino]ethyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one;molecular hydrogen with MolForge

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Related Compounds

3-[(5S)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-5-yl]propanal
CID 87366957
5-[2-[(1-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)methylamino]ethyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one
CID 156862476
6-[5-[2-[(4-chloro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 156862265
formic acid;1-methyl-3-[2-[[(5R)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-5-yl]methylamino]ethyl]quinazoline-2,4-dione
CID 90216296
formic acid;1-methyl-3-[2-[[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-5-yl]methylamino]ethyl]quinazoline-2,4-dione
CID 90216297
2-amino-6-chloro-N-[3-[(5S)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide
CID 90216287
(5R)-5-[3-[(5-chloro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)amino]propyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one
CID 67350157
6-[5-[2-[[3-[(2R)-2-amino-3-hydroxypropoxy]-4-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 156862499
6-[5-[2-[[3-(azetidin-3-ylmethoxy)-1,4-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
CID 156861905
2-(dimethylamino)-N-[4-methyl-6-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]acetamide
CID 167514419
5-(2-aminopropoxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile;formic acid
CID 166759764
(5R)-5-[3-[[(3R)-11-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl]amino]propyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one
CID 90149689

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[(3Z)-3-[1-(dimethylamino)ethylidene]-4-propan-2-ylidenecyclopentyl]methylamino]ethyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one;molecular hydrogen?
The IUPAC name of 5-[2-[[(3Z)-3-[1-(dimethylamino)ethylidene]-4-propan-2-ylidenecyclopentyl]methylamino]ethyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one;molecular hydrogen (CID 156862537) is 5-[2-[[(3Z)-3-[1-(dimethylamino)ethylidene]-4-propan-2-ylidenecyclopentyl]methylamino]ethyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one;molecular hydrogen.
What is the SMILES notation for 5-[2-[[(3Z)-3-[1-(dimethylamino)ethylidene]-4-propan-2-ylidenecyclopentyl]methylamino]ethyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one;molecular hydrogen?
The canonical SMILES for 5-[2-[[(3Z)-3-[1-(dimethylamino)ethylidene]-4-propan-2-ylidenecyclopentyl]methylamino]ethyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one;molecular hydrogen is CC(C)=C1CC(CNCCC2CN(c3ccc4c(n3)NC(=O)CS4)C(=O)O2)C/C1=C(\C)N(C)C.[H][H].[H][H].
What is the InChIKey of 5-[2-[[(3Z)-3-[1-(dimethylamino)ethylidene]-4-propan-2-ylidenecyclopentyl]methylamino]ethyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one;molecular hydrogen?
The InChIKey is RTSHVFBFMBLVAW-PFNMRQQASA-N. The full InChI is InChI=1S/C25H35N5O3S.2H2/c1-15(2)19-10-17(11-20(19)16(3)29(4)5)12-26-9-8-18-13-30(25(32)33-18)22-7-6-21-24(27-22)28-23(31)14-34-21;;/h6-7,17-18,26H,8-14H2,1-5H3,(H,27,28,31);2*1H/b20-16-;;.
What are the key properties of 5-[2-[[(3Z)-3-[1-(dimethylamino)ethylidene]-4-propan-2-ylidenecyclopentyl]methylamino]ethyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one;molecular hydrogen?
5-[2-[[(3Z)-3-[1-(dimethylamino)ethylidene]-4-propan-2-ylidenecyclopentyl]methylamino]ethyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one;molecular hydrogen has a molecular weight of 489.69 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[(3Z)-3-[1-(dimethylamino)ethylidene]-4-propan-2-ylidenecyclopentyl]methylamino]ethyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one;molecular hydrogen is sourced from PubChem (CID 156862537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).