N-(1,3-benzothiazol-2-yl)naphthalene-1-carboxamide

C18H12N2OS — CID 708647

IUPACN-(1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1cccc2ccccc12
InChIInChI=1S/C18H12N2OS/c21-17(14-9-5-7-12-6-1-2-8-13(12)14)20-18-19-15-10-3-4-11-16(15)22-18/h1-11H,(H,19,20,21)
InChIKeyBYQDINPOEPAMNO-UHFFFAOYSA-N
MW304.37 g/mol
LogP4.70
Rot. Bonds2

About N-(1,3-benzothiazol-2-yl)naphthalene-1-carboxamide

N-(1,3-benzothiazol-2-yl)naphthalene-1-carboxamide (PubChem CID 708647) has the molecular formula C18H12N2OS and a molecular weight of 304.37 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
PubChem CID708647
Molecular FormulaC18H12N2OS
Molecular Weight304.37 g/mol
Exact Mass304.07
IUPAC NameN-(1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1cccc2ccccc12
InChIInChI=1S/C18H12N2OS/c21-17(14-9-5-7-12-6-1-2-8-13(12)14)20-18-19-15-10-3-4-11-16(15)22-18/h1-11H,(H,19,20,21)
InChIKeyBYQDINPOEPAMNO-UHFFFAOYSA-N
XLogP4.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)naphthalene-1-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)naphthalene-1-carboxamide (CID 708647) is N-(1,3-benzothiazol-2-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)naphthalene-1-carboxamide is O=C(Nc1nc2ccccc2s1)c1cccc2ccccc12.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)naphthalene-1-carboxamide?
The InChIKey is BYQDINPOEPAMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2OS/c21-17(14-9-5-7-12-6-1-2-8-13(12)14)20-18-19-15-10-3-4-11-16(15)22-18/h1-11H,(H,19,20,21).
What are the key properties of N-(1,3-benzothiazol-2-yl)naphthalene-1-carboxamide?
N-(1,3-benzothiazol-2-yl)naphthalene-1-carboxamide has a molecular weight of 304.37 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 708647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).