5-[(5S)-5-[(carbamothioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2,3-dihydroindole-1-carboxylic acid

C14H16N4O4S — CID 91285612

IUPAC5-[(5S)-5-[(carbamothioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2,3-dihydroindole-1-carboxylic acid
SMILESNC(=S)NC[C@H]1CN(c2ccc3c(c2)CCN3C(=O)O)C(=O)O1
InChIInChI=1S/C14H16N4O4S/c15-12(23)16-6-10-7-18(14(21)22-10)9-1-2-11-8(5-9)3-4-17(11)13(19)20/h1-2,5,10H,3-4,6-7H2,(H,19,20)(H3,15,16,23)/t10-/m0/s1
InChIKeyLKLODLUISLWZCT-JTQLQIEISA-N
MW336.37 g/mol
LogP0.89
Rot. Bonds3

About 5-[(5S)-5-[(carbamothioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2,3-dihydroindole-1-carboxylic acid

5-[(5S)-5-[(carbamothioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2,3-dihydroindole-1-carboxylic acid (PubChem CID 91285612) has the molecular formula C14H16N4O4S and a molecular weight of 336.37 g/mol. Its IUPAC name is 5-[(5S)-5-[(carbamothioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2,3-dihydroindole-1-carboxylic acid.

Molecular Properties

Compound Name5-[(5S)-5-[(carbamothioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2,3-dihydroindole-1-carboxylic acid
PubChem CID91285612
Molecular FormulaC14H16N4O4S
Molecular Weight336.37 g/mol
Exact Mass336.09
IUPAC Name5-[(5S)-5-[(carbamothioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2,3-dihydroindole-1-carboxylic acid
SMILESNC(=S)NC[C@H]1CN(c2ccc3c(c2)CCN3C(=O)O)C(=O)O1
InChIInChI=1S/C14H16N4O4S/c15-12(23)16-6-10-7-18(14(21)22-10)9-1-2-11-8(5-9)3-4-17(11)13(19)20/h1-2,5,10H,3-4,6-7H2,(H,19,20)(H3,15,16,23)/t10-/m0/s1
InChIKeyLKLODLUISLWZCT-JTQLQIEISA-N
XLogP0.89
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1-acetyl-2,3-dihydroindol-5-yl)-5-(aminomethyl)-1,3-oxazolidin-2-one
CID 22982594
[3-[3-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylthiourea
CID 21026244
(5S)-5-(aminomethyl)-3-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-oxazolidin-2-one
CID 59953065
[(5S)-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methylthiourea
CID 141073578
[(5S)-3-[4-(4-ethylpiperidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylthiourea
CID 10762343
[(5S)-3-(4-ethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylthiourea
CID 139799629
[(5S)-3-[4-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylthiourea
CID 142669217
[2-oxo-3-(4-pyridin-4-ylphenyl)-1,3-oxazolidin-5-yl]methylthiourea
CID 85054920
ethyl 3-[4-[4-[(5S)-5-[(carbamothioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]propanoate
CID 139799588
[(5S)-3-[1-(cyclopropylmethyl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid
CID 154336365
[(5S)-2-oxo-3-[4-(1,2,4-triazol-1-yl)phenyl]-1,3-oxazolidin-5-yl]methylthiourea
CID 87951002
N-[[(5S)-3-[(2R)-1-formyl-2-methyl-2,3-dihydroindol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 12971629

Frequently Asked Questions

What is the IUPAC name of 5-[(5S)-5-[(carbamothioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2,3-dihydroindole-1-carboxylic acid?
The IUPAC name of 5-[(5S)-5-[(carbamothioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2,3-dihydroindole-1-carboxylic acid (CID 91285612) is 5-[(5S)-5-[(carbamothioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2,3-dihydroindole-1-carboxylic acid.
What is the SMILES notation for 5-[(5S)-5-[(carbamothioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2,3-dihydroindole-1-carboxylic acid?
The canonical SMILES for 5-[(5S)-5-[(carbamothioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2,3-dihydroindole-1-carboxylic acid is NC(=S)NC[C@H]1CN(c2ccc3c(c2)CCN3C(=O)O)C(=O)O1.
What is the InChIKey of 5-[(5S)-5-[(carbamothioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2,3-dihydroindole-1-carboxylic acid?
The InChIKey is LKLODLUISLWZCT-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16N4O4S/c15-12(23)16-6-10-7-18(14(21)22-10)9-1-2-11-8(5-9)3-4-17(11)13(19)20/h1-2,5,10H,3-4,6-7H2,(H,19,20)(H3,15,16,23)/t10-/m0/s1.
What are the key properties of 5-[(5S)-5-[(carbamothioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2,3-dihydroindole-1-carboxylic acid?
5-[(5S)-5-[(carbamothioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2,3-dihydroindole-1-carboxylic acid has a molecular weight of 336.37 g/mol, XLogP of 0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5S)-5-[(carbamothioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2,3-dihydroindole-1-carboxylic acid is sourced from PubChem (CID 91285612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).