1-(3-oxo-1,2-benzothiazol-2-yl)propan-2-yl N-(3-methylphenyl)carbamate

C18H18N2O3S — CID 10783488

IUPAC1-(3-oxo-1,2-benzothiazol-2-yl)propan-2-yl N-(3-methylphenyl)carbamate
SMILESCc1cccc(NC(=O)OC(C)Cn2sc3ccccc3c2=O)c1
InChIInChI=1S/C18H18N2O3S/c1-12-6-5-7-14(10-12)19-18(22)23-13(2)11-20-17(21)15-8-3-4-9-16(15)24-20/h3-10,13H,11H2,1-2H3,(H,19,22)
InChIKeyCWKXHWJBHZZEMB-UHFFFAOYSA-N
MW342.42 g/mol
LogP4.01
Rot. Bonds4

About 1-(3-oxo-1,2-benzothiazol-2-yl)propan-2-yl N-(3-methylphenyl)carbamate

1-(3-oxo-1,2-benzothiazol-2-yl)propan-2-yl N-(3-methylphenyl)carbamate (PubChem CID 10783488) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-(3-oxo-1,2-benzothiazol-2-yl)propan-2-yl N-(3-methylphenyl)carbamate.

Molecular Properties

Compound Name1-(3-oxo-1,2-benzothiazol-2-yl)propan-2-yl N-(3-methylphenyl)carbamate
PubChem CID10783488
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name1-(3-oxo-1,2-benzothiazol-2-yl)propan-2-yl N-(3-methylphenyl)carbamate
SMILESCc1cccc(NC(=O)OC(C)Cn2sc3ccccc3c2=O)c1
InChIInChI=1S/C18H18N2O3S/c1-12-6-5-7-14(10-12)19-18(22)23-13(2)11-20-17(21)15-8-3-4-9-16(15)24-20/h3-10,13H,11H2,1-2H3,(H,19,22)
InChIKeyCWKXHWJBHZZEMB-UHFFFAOYSA-N
XLogP4.01
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-hydroxy-2-(3-oxo-1,2-benzothiazol-2-yl)ethyl] 3-bromobenzoate
CID 141324466
2-hydroxy-3-(3-oxo-1,2-benzothiazol-2-yl)propanoic acid
CID 81435653
2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate
CID 176596945
1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-(3-methylphenyl)carbamate
CID 3569181
2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylphenyl)acetamide
CID 17129197
3-hydroxy-N-(3-methylphenyl)butanamide
CID 16769880
2-hydroxy-N-(3-methylphenyl)naphthalene-1-carboxamide
CID 86575396
[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874773
(2,5-dioxopyrrolidin-1-yl) N-(3-methylphenyl)carbamate
CID 88553951
butan-2-yl N-(3-aminophenyl)carbamate
CID 60904542
3-chloro-N-(3-methylphenyl)-1-benzothiophene-2-carboxamide
CID 607033
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 3150564

Frequently Asked Questions

What is the IUPAC name of 1-(3-oxo-1,2-benzothiazol-2-yl)propan-2-yl N-(3-methylphenyl)carbamate?
The IUPAC name of 1-(3-oxo-1,2-benzothiazol-2-yl)propan-2-yl N-(3-methylphenyl)carbamate (CID 10783488) is 1-(3-oxo-1,2-benzothiazol-2-yl)propan-2-yl N-(3-methylphenyl)carbamate.
What is the SMILES notation for 1-(3-oxo-1,2-benzothiazol-2-yl)propan-2-yl N-(3-methylphenyl)carbamate?
The canonical SMILES for 1-(3-oxo-1,2-benzothiazol-2-yl)propan-2-yl N-(3-methylphenyl)carbamate is Cc1cccc(NC(=O)OC(C)Cn2sc3ccccc3c2=O)c1.
What is the InChIKey of 1-(3-oxo-1,2-benzothiazol-2-yl)propan-2-yl N-(3-methylphenyl)carbamate?
The InChIKey is CWKXHWJBHZZEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-12-6-5-7-14(10-12)19-18(22)23-13(2)11-20-17(21)15-8-3-4-9-16(15)24-20/h3-10,13H,11H2,1-2H3,(H,19,22).
What are the key properties of 1-(3-oxo-1,2-benzothiazol-2-yl)propan-2-yl N-(3-methylphenyl)carbamate?
1-(3-oxo-1,2-benzothiazol-2-yl)propan-2-yl N-(3-methylphenyl)carbamate has a molecular weight of 342.42 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-oxo-1,2-benzothiazol-2-yl)propan-2-yl N-(3-methylphenyl)carbamate is sourced from PubChem (CID 10783488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).