[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-hydroxy-2-phenylacetate

C18H16N2O4S — CID 23828313

IUPAC[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-hydroxy-2-phenylacetate
SMILESCc1ccc2nc(NC(=O)COC(=O)C(O)c3ccccc3)sc2c1
InChIInChI=1S/C18H16N2O4S/c1-11-7-8-13-14(9-11)25-18(19-13)20-15(21)10-24-17(23)16(22)12-5-3-2-4-6-12/h2-9,16,22H,10H2,1H3,(H,19,20,21)
InChIKeyDLTRLPUCJLYXOR-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.82
Rot. Bonds5

About [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-hydroxy-2-phenylacetate

[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-hydroxy-2-phenylacetate (PubChem CID 23828313) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Name[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-hydroxy-2-phenylacetate
PubChem CID23828313
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC Name[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-hydroxy-2-phenylacetate
SMILESCc1ccc2nc(NC(=O)COC(=O)C(O)c3ccccc3)sc2c1
InChIInChI=1S/C18H16N2O4S/c1-11-7-8-13-14(9-11)25-18(19-13)20-15(21)10-24-17(23)16(22)12-5-3-2-4-6-12/h2-9,16,22H,10H2,1H3,(H,19,20,21)
InChIKeyDLTRLPUCJLYXOR-UHFFFAOYSA-N
XLogP2.82
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-hydroxy-2-phenylacetate with MolForge

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Related Compounds

[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] (2R)-2-methylpentanoate
CID 2357128
2-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 836502
2-(2,4-dimethylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 836392
N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 682912
[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 23742164
3-methyl-N-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-1-phenylethyl]butanamide
CID 56579379
N-(6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylsulfanylacetamide
CID 9457701
[2-(2-bromo-4-methylanilino)-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 7834241
[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 1250236
3-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 24535645
methyl 4-[(6-methyl-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
CID 110756987
2-(3-acetylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 2701448

Frequently Asked Questions

What is the IUPAC name of [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-hydroxy-2-phenylacetate?
The IUPAC name of [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-hydroxy-2-phenylacetate (CID 23828313) is [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-hydroxy-2-phenylacetate.
What is the SMILES notation for [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-hydroxy-2-phenylacetate?
The canonical SMILES for [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-hydroxy-2-phenylacetate is Cc1ccc2nc(NC(=O)COC(=O)C(O)c3ccccc3)sc2c1.
What is the InChIKey of [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-hydroxy-2-phenylacetate?
The InChIKey is DLTRLPUCJLYXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S/c1-11-7-8-13-14(9-11)25-18(19-13)20-15(21)10-24-17(23)16(22)12-5-3-2-4-6-12/h2-9,16,22H,10H2,1H3,(H,19,20,21).
What are the key properties of [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-hydroxy-2-phenylacetate?
[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-hydroxy-2-phenylacetate has a molecular weight of 356.40 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-hydroxy-2-phenylacetate is sourced from PubChem (CID 23828313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).