methyl 2-(naphthalene-2-carbonylamino)-1,3-benzothiazole-6-carboxylate

C20H14N2O3S — CID 4229260

IUPACmethyl 2-(naphthalene-2-carbonylamino)-1,3-benzothiazole-6-carboxylate
SMILESCOC(=O)c1ccc2nc(NC(=O)c3ccc4ccccc4c3)sc2c1
InChIInChI=1S/C20H14N2O3S/c1-25-19(24)15-8-9-16-17(11-15)26-20(21-16)22-18(23)14-7-6-12-4-2-3-5-13(12)10-14/h2-11H,1H3,(H,21,22,23)
InChIKeyRCUBGHBWKAJJLP-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.49
Rot. Bonds3

About methyl 2-(naphthalene-2-carbonylamino)-1,3-benzothiazole-6-carboxylate

methyl 2-(naphthalene-2-carbonylamino)-1,3-benzothiazole-6-carboxylate (PubChem CID 4229260) has the molecular formula C20H14N2O3S and a molecular weight of 362.41 g/mol. Its IUPAC name is methyl 2-(naphthalene-2-carbonylamino)-1,3-benzothiazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(naphthalene-2-carbonylamino)-1,3-benzothiazole-6-carboxylate
PubChem CID4229260
Molecular FormulaC20H14N2O3S
Molecular Weight362.41 g/mol
Exact Mass362.07
IUPAC Namemethyl 2-(naphthalene-2-carbonylamino)-1,3-benzothiazole-6-carboxylate
SMILESCOC(=O)c1ccc2nc(NC(=O)c3ccc4ccccc4c3)sc2c1
InChIInChI=1S/C20H14N2O3S/c1-25-19(24)15-8-9-16-17(11-15)26-20(21-16)22-18(23)14-7-6-12-4-2-3-5-13(12)10-14/h2-11H,1H3,(H,21,22,23)
InChIKeyRCUBGHBWKAJJLP-UHFFFAOYSA-N
XLogP4.49
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(3-propan-2-yloxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 17128823
N-[2-(naphthalene-2-carbonylamino)-1,3-benzothiazol-6-yl]naphthalene-2-carboxamide
CID 4025738
methyl 2-[(4-propan-2-ylbenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 17128804
methyl 2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 4250162
methyl 2-[(4-iodobenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 17128807
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
CID 8670065
methyl 2-[(3-chloro-4-methylbenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 17128805
methyl 2-(2-methylpropanoylamino)-1,3-benzothiazole-6-carboxylate
CID 4118650
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
2-benzamido-1,3-benzothiazole-6-carboxylic acid
CID 19622650
methyl 4-[[6-(piperidine-1-carbonyl)-1,3-benzothiazol-2-yl]carbamoyl]benzoate
CID 1136431
methyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylate
CID 45497418

Frequently Asked Questions

What is the IUPAC name of methyl 2-(naphthalene-2-carbonylamino)-1,3-benzothiazole-6-carboxylate?
The IUPAC name of methyl 2-(naphthalene-2-carbonylamino)-1,3-benzothiazole-6-carboxylate (CID 4229260) is methyl 2-(naphthalene-2-carbonylamino)-1,3-benzothiazole-6-carboxylate.
What is the SMILES notation for methyl 2-(naphthalene-2-carbonylamino)-1,3-benzothiazole-6-carboxylate?
The canonical SMILES for methyl 2-(naphthalene-2-carbonylamino)-1,3-benzothiazole-6-carboxylate is COC(=O)c1ccc2nc(NC(=O)c3ccc4ccccc4c3)sc2c1.
What is the InChIKey of methyl 2-(naphthalene-2-carbonylamino)-1,3-benzothiazole-6-carboxylate?
The InChIKey is RCUBGHBWKAJJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3S/c1-25-19(24)15-8-9-16-17(11-15)26-20(21-16)22-18(23)14-7-6-12-4-2-3-5-13(12)10-14/h2-11H,1H3,(H,21,22,23).
What are the key properties of methyl 2-(naphthalene-2-carbonylamino)-1,3-benzothiazole-6-carboxylate?
methyl 2-(naphthalene-2-carbonylamino)-1,3-benzothiazole-6-carboxylate has a molecular weight of 362.41 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(naphthalene-2-carbonylamino)-1,3-benzothiazole-6-carboxylate is sourced from PubChem (CID 4229260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).