[(3S)-2-[(3-methylphenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methyl N-phenylcarbamate

C19H20N2O4S — CID 51360540

IUPAC[(3S)-2-[(3-methylphenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methyl N-phenylcarbamate
SMILESCc1cccc(CN2[C@H](COC(=O)Nc3ccccc3)C=CS2(=O)=O)c1
InChIInChI=1S/C19H20N2O4S/c1-15-6-5-7-16(12-15)13-21-18(10-11-26(21,23)24)14-25-19(22)20-17-8-3-2-4-9-17/h2-12,18H,13-14H2,1H3,(H,20,22)/t18-/m0/s1
InChIKeyUBWCOUJNTTWXOH-SFHVURJKSA-N
MW372.45 g/mol
LogP3.27
Rot. Bonds5

About [(3S)-2-[(3-methylphenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methyl N-phenylcarbamate

[(3S)-2-[(3-methylphenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methyl N-phenylcarbamate (PubChem CID 51360540) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is [(3S)-2-[(3-methylphenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methyl N-phenylcarbamate.

Molecular Properties

Compound Name[(3S)-2-[(3-methylphenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methyl N-phenylcarbamate
PubChem CID51360540
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name[(3S)-2-[(3-methylphenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methyl N-phenylcarbamate
SMILESCc1cccc(CN2[C@H](COC(=O)Nc3ccccc3)C=CS2(=O)=O)c1
InChIInChI=1S/C19H20N2O4S/c1-15-6-5-7-16(12-15)13-21-18(10-11-26(21,23)24)14-25-19(22)20-17-8-3-2-4-9-17/h2-12,18H,13-14H2,1H3,(H,20,22)/t18-/m0/s1
InChIKeyUBWCOUJNTTWXOH-SFHVURJKSA-N
XLogP3.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S)-2-[(3-methylphenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methyl N-phenylcarbamate with MolForge

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Related Compounds

[(2-Ethyl-6-methylphenyl)carbamoyl]methyl 2-(2-phenylethenesulfonamido)acetate
CID 2412556
[(3S)-2-[(4-bromophenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methyl N-phenylcarbamate
CID 51360543
N-[[4-(2-methoxyethylamino)phenyl]methyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide
CID 89700958
Carbanilic acid, 2-(N-methyl-N-phenethylamino)ethyl ester
CID 53841
Ammonium, benzyldiethyl(2-hydroxyethyl)-, bromide, carbanilate
CID 57588
1-[6-(Ethoxycarbonylphenylamino)hexylamino]-1-phenylmethanesulfonic acid
CID 256898
1-(4-fluorophenyl)-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]methanesulfonamide
CID 51118411
tert-butyl N-[4-[[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]sulfonylamino]phenyl]carbamate
CID 155560539
2-[ethyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]ethyl N-[4-[[4-[2-[ethyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]ethoxycarbonylamino]phenyl]methyl]phenyl]carbamate
CID 139596348
N-[[(5S)-3-[4-[3-[(ethylsulfonylamino)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11676749
2-[methyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]ethyl N-[4-[(4-prop-1-en-2-ylphenyl)methyl]phenyl]carbamate
CID 58455673
propan-2-yl N-[2-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl-methylsulfonylamino]butyl]phenyl]carbamate
CID 89146427

Frequently Asked Questions

What is the IUPAC name of [(3S)-2-[(3-methylphenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methyl N-phenylcarbamate?
The IUPAC name of [(3S)-2-[(3-methylphenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methyl N-phenylcarbamate (CID 51360540) is [(3S)-2-[(3-methylphenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methyl N-phenylcarbamate.
What is the SMILES notation for [(3S)-2-[(3-methylphenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methyl N-phenylcarbamate?
The canonical SMILES for [(3S)-2-[(3-methylphenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methyl N-phenylcarbamate is Cc1cccc(CN2[C@H](COC(=O)Nc3ccccc3)C=CS2(=O)=O)c1.
What is the InChIKey of [(3S)-2-[(3-methylphenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methyl N-phenylcarbamate?
The InChIKey is UBWCOUJNTTWXOH-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-15-6-5-7-16(12-15)13-21-18(10-11-26(21,23)24)14-25-19(22)20-17-8-3-2-4-9-17/h2-12,18H,13-14H2,1H3,(H,20,22)/t18-/m0/s1.
What are the key properties of [(3S)-2-[(3-methylphenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methyl N-phenylcarbamate?
[(3S)-2-[(3-methylphenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methyl N-phenylcarbamate has a molecular weight of 372.45 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-[(3-methylphenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methyl N-phenylcarbamate is sourced from PubChem (CID 51360540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).