N-(2,4-difluorophenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide

C18H15F2N3O2S — CID 24793657

IUPACN-(2,4-difluorophenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C18H15F2N3O2S/c19-12-2-4-14(13(20)10-12)21-17(24)11-1-3-15-16(9-11)26-18(22-15)23-5-7-25-8-6-23/h1-4,9-10H,5-8H2,(H,21,24)
InChIKeyOBIZVPRXKORXCW-UHFFFAOYSA-N
MW375.40 g/mol
LogP3.66
Rot. Bonds3

About N-(2,4-difluorophenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide

N-(2,4-difluorophenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide (PubChem CID 24793657) has the molecular formula C18H15F2N3O2S and a molecular weight of 375.40 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
PubChem CID24793657
Molecular FormulaC18H15F2N3O2S
Molecular Weight375.40 g/mol
Exact Mass375.09
IUPAC NameN-(2,4-difluorophenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C18H15F2N3O2S/c19-12-2-4-14(13(20)10-12)21-17(24)11-1-3-15-16(9-11)26-18(22-15)23-5-7-25-8-6-23/h1-4,9-10H,5-8H2,(H,21,24)
InChIKeyOBIZVPRXKORXCW-UHFFFAOYSA-N
XLogP3.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide (CID 24793657) is N-(2,4-difluorophenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide is O=C(Nc1ccc(F)cc1F)c1ccc2nc(N3CCOCC3)sc2c1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide?
The InChIKey is OBIZVPRXKORXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O2S/c19-12-2-4-14(13(20)10-12)21-17(24)11-1-3-15-16(9-11)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 N-(2,4-difluorophenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide?
N-(2,4-difluorophenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide has a molecular weight of 375.40 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 24793657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).