methyl 2-[(4-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate

C17H14N2O4S — CID 43952140

IUPACmethyl 2-[(4-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate
SMILESCOC(=O)c1ccccc1C(=O)Nc1nc2c(OC)cccc2s1
InChIInChI=1S/C17H14N2O4S/c1-22-12-8-5-9-13-14(12)18-17(24-13)19-15(20)10-6-3-4-7-11(10)16(21)23-2/h3-9H,1-2H3,(H,18,19,20)
InChIKeyYFMMOOAPUPZKRE-UHFFFAOYSA-N
MW342.38 g/mol
LogP3.34
Rot. Bonds4

About methyl 2-[(4-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate

methyl 2-[(4-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate (PubChem CID 43952140) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is methyl 2-[(4-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(4-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate
PubChem CID43952140
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC Namemethyl 2-[(4-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate
SMILESCOC(=O)c1ccccc1C(=O)Nc1nc2c(OC)cccc2s1
InChIInChI=1S/C17H14N2O4S/c1-22-12-8-5-9-13-14(12)18-17(24-13)19-15(20)10-6-3-4-7-11(10)16(21)23-2/h3-9H,1-2H3,(H,18,19,20)
InChIKeyYFMMOOAPUPZKRE-UHFFFAOYSA-N
XLogP3.34
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 43952216
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 19214365
2-benzamido-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 35871813
(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 22283036
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 5139354
4-N-(4-methoxy-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide
CID 78797293
N-(4-methoxy-1,3-benzothiazol-2-yl)-1H-pyrrole-2-carboxamide
CID 110461136
N-(4-methoxy-1,3-benzothiazol-2-yl)quinoxaline-2-carboxamide
CID 17432386
1-(4-methoxy-1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea
CID 110491929
2-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 5185443
N-(4-methoxy-1,3-benzothiazol-2-yl)-4-methylsulfinylbenzamide
CID 78797294
N-[3-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-2-methylbenzamide
CID 46616277

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate?
The IUPAC name of methyl 2-[(4-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate (CID 43952140) is methyl 2-[(4-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate.
What is the SMILES notation for methyl 2-[(4-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate?
The canonical SMILES for methyl 2-[(4-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate is COC(=O)c1ccccc1C(=O)Nc1nc2c(OC)cccc2s1.
What is the InChIKey of methyl 2-[(4-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate?
The InChIKey is YFMMOOAPUPZKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S/c1-22-12-8-5-9-13-14(12)18-17(24-13)19-15(20)10-6-3-4-7-11(10)16(21)23-2/h3-9H,1-2H3,(H,18,19,20).
What are the key properties of methyl 2-[(4-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate?
methyl 2-[(4-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate has a molecular weight of 342.38 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate is sourced from PubChem (CID 43952140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).