4-chloro-2-fluoro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide

C18H15ClFN3O2S — CID 25499411

IUPAC4-chloro-2-fluoro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
SMILESO=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc(Cl)cc1F
InChIInChI=1S/C18H15ClFN3O2S/c19-11-1-3-13(14(20)9-11)17(24)21-12-2-4-15-16(10-12)26-18(22-15)23-5-7-25-8-6-23/h1-4,9-10H,5-8H2,(H,21,24)
InChIKeyVHSNREBDMTWEBW-UHFFFAOYSA-N
MW391.86 g/mol
LogP4.18
Rot. Bonds3

About 4-chloro-2-fluoro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide

4-chloro-2-fluoro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide (PubChem CID 25499411) has the molecular formula C18H15ClFN3O2S and a molecular weight of 391.86 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
PubChem CID25499411
Molecular FormulaC18H15ClFN3O2S
Molecular Weight391.86 g/mol
Exact Mass391.06
IUPAC Name4-chloro-2-fluoro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
SMILESO=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc(Cl)cc1F
InChIInChI=1S/C18H15ClFN3O2S/c19-11-1-3-13(14(20)9-11)17(24)21-12-2-4-15-16(10-12)26-18(22-15)23-5-7-25-8-6-23/h1-4,9-10H,5-8H2,(H,21,24)
InChIKeyVHSNREBDMTWEBW-UHFFFAOYSA-N
XLogP4.18
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-3-carboxamide
CID 37040838
2,4,5-trimethoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
CID 17493258
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
CID 9405180
4-(6-chloro-1,3-benzothiazol-2-yl)morpholine
CID 2741382
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)furan-3-carboxamide
CID 27021882
(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
3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 39761645
1-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 119833426
2-(2-amino-2-oxoethyl)sulfanyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
CID 55432876
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 9166050
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 4-chloro-2-fluoro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide (CID 25499411) is 4-chloro-2-fluoro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide is O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide?
The InChIKey is VHSNREBDMTWEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O2S/c19-11-1-3-13(14(20)9-11)17(24)21-12-2-4-15-16(10-12)26-18(22-15)23-5-7-25-8-6-23/h1-4,9-10H,5-8H2,(H,21,24).
What are the key properties of 4-chloro-2-fluoro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide?
4-chloro-2-fluoro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide has a molecular weight of 391.86 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide is sourced from PubChem (CID 25499411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).