N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methoxynaphthalene-2-carboxamide

C25H18N2O2S — CID 15994040

IUPACN-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C25H18N2O2S/c1-29-22-15-18-7-3-2-6-17(18)14-20(22)24(28)26-19-12-10-16(11-13-19)25-27-21-8-4-5-9-23(21)30-25/h2-15H,1H3,(H,26,28)
InChIKeyKPPYCGAPWSPUGO-UHFFFAOYSA-N
MW410.50 g/mol
LogP6.38
Rot. Bonds4

About N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methoxynaphthalene-2-carboxamide

N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methoxynaphthalene-2-carboxamide (PubChem CID 15994040) has the molecular formula C25H18N2O2S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methoxynaphthalene-2-carboxamide
PubChem CID15994040
Molecular FormulaC25H18N2O2S
Molecular Weight410.50 g/mol
Exact Mass410.11
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C25H18N2O2S/c1-29-22-15-18-7-3-2-6-17(18)14-20(22)24(28)26-19-12-10-16(11-13-19)25-27-21-8-4-5-9-23(21)30-25/h2-15H,1H3,(H,26,28)
InChIKeyKPPYCGAPWSPUGO-UHFFFAOYSA-N
XLogP6.38
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.50
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methoxynaphthalene-2-carboxamide (CID 15994040) is N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methoxynaphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methoxynaphthalene-2-carboxamide?
The InChIKey is KPPYCGAPWSPUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O2S/c1-29-22-15-18-7-3-2-6-17(18)14-20(22)24(28)26-19-12-10-16(11-13-19)25-27-21-8-4-5-9-23(21)30-25/h2-15H,1H3,(H,26,28).
What are the key properties of N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methoxynaphthalene-2-carboxamide?
N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methoxynaphthalene-2-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 6.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 15994040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).