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

C22H19N3O2S — CID 9405180

IUPACN-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
SMILESO=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1cccc2ccccc12
InChIInChI=1S/C22H19N3O2S/c26-21(18-7-3-5-15-4-1-2-6-17(15)18)23-16-8-9-19-20(14-16)28-22(24-19)25-10-12-27-13-11-25/h1-9,14H,10-13H2,(H,23,26)
InChIKeyWZLCYHDGYMTWJI-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.54
Rot. Bonds3

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

N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide (PubChem CID 9405180) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
PubChem CID9405180
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC NameN-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
SMILESO=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1cccc2ccccc12
InChIInChI=1S/C22H19N3O2S/c26-21(18-7-3-5-15-4-1-2-6-17(15)18)23-16-8-9-19-20(14-16)28-22(24-19)25-10-12-27-13-11-25/h1-9,14H,10-13H2,(H,23,26)
InChIKeyWZLCYHDGYMTWJI-UHFFFAOYSA-N
XLogP4.54
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-amino-2-oxoethyl)sulfanyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
CID 55432876
1-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-oxoquinoline-4-carboxamide
CID 55756456
2,5-dichloro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-3-carboxamide
CID 37040838
(2S,3R)-2,3-dimethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2,3-dihydro-1-benzofuran-7-carboxamide
CID 41312650
(2R,3S)-2,3-dimethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2,3-dihydro-1-benzofuran-7-carboxamide
CID 41312649
2,4,5-trimethoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
CID 17493258
4-chloro-2-fluoro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
CID 25499411
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)furan-3-carboxamide
CID 27021882
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 41210408
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24630817
2-bromo-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide
CID 42013873
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 46520819

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide?
The IUPAC name of N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide (CID 9405180) is N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide is O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1cccc2ccccc12.
What is the InChIKey of N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide?
The InChIKey is WZLCYHDGYMTWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c26-21(18-7-3-5-15-4-1-2-6-17(15)18)23-16-8-9-19-20(14-16)28-22(24-19)25-10-12-27-13-11-25/h1-9,14H,10-13H2,(H,23,26).
What are the key properties of N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide?
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 9405180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).