N-(4,6-difluoro-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide

C18H10F2N2OS — CID 2150798

IUPACN-(4,6-difluoro-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
SMILESO=C(Nc1nc2c(F)cc(F)cc2s1)c1ccc2ccccc2c1
InChIInChI=1S/C18H10F2N2OS/c19-13-8-14(20)16-15(9-13)24-18(21-16)22-17(23)12-6-5-10-3-1-2-4-11(10)7-12/h1-9H,(H,21,22,23)
InChIKeyBVFLLZLZCMXZRQ-UHFFFAOYSA-N
MW340.35 g/mol
LogP4.98
Rot. Bonds2

About N-(4,6-difluoro-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide

N-(4,6-difluoro-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide (PubChem CID 2150798) has the molecular formula C18H10F2N2OS and a molecular weight of 340.35 g/mol. Its IUPAC name is N-(4,6-difluoro-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(4,6-difluoro-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
PubChem CID2150798
Molecular FormulaC18H10F2N2OS
Molecular Weight340.35 g/mol
Exact Mass340.05
IUPAC NameN-(4,6-difluoro-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
SMILESO=C(Nc1nc2c(F)cc(F)cc2s1)c1ccc2ccccc2c1
InChIInChI=1S/C18H10F2N2OS/c19-13-8-14(20)16-15(9-13)24-18(21-16)22-17(23)12-6-5-10-3-1-2-4-11(10)7-12/h1-9H,(H,21,22,23)
InChIKeyBVFLLZLZCMXZRQ-UHFFFAOYSA-N
XLogP4.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 5131349
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide
CID 7267144
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide
CID 9119417
N-[2-(naphthalene-2-carbonylamino)-1,3-benzothiazol-6-yl]naphthalene-2-carboxamide
CID 4025738
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
CID 8670065
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide
CID 16848813
methyl 2-(naphthalene-2-carbonylamino)-1,3-benzothiazole-6-carboxylate
CID 4229260
[2-oxo-2-[(4,5,6-trifluoro-1,3-benzothiazol-2-yl)amino]ethyl] naphthalene-2-carboxylate
CID 23908095
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(N-methylanilino)butanamide
CID 171529922
1-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-(thiophen-2-ylmethyl)urea
CID 121082419
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide
CID 16809678
3-(2-chlorophenyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)prop-2-enamide
CID 7193228

Frequently Asked Questions

What is the IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide?
The IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide (CID 2150798) is N-(4,6-difluoro-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(4,6-difluoro-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide?
The canonical SMILES for N-(4,6-difluoro-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide is O=C(Nc1nc2c(F)cc(F)cc2s1)c1ccc2ccccc2c1.
What is the InChIKey of N-(4,6-difluoro-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide?
The InChIKey is BVFLLZLZCMXZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F2N2OS/c19-13-8-14(20)16-15(9-13)24-18(21-16)22-17(23)12-6-5-10-3-1-2-4-11(10)7-12/h1-9H,(H,21,22,23).
What are the key properties of N-(4,6-difluoro-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide?
N-(4,6-difluoro-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide has a molecular weight of 340.35 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-difluoro-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 2150798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).