3,4-difluoro-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide

C19H17F2N3O2S — CID 108740915

IUPAC3,4-difluoro-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide
SMILESO=C(Nc1nc2ccc(CN3CCOCC3)cc2s1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H17F2N3O2S/c20-14-3-2-13(10-15(14)21)18(25)23-19-22-16-4-1-12(9-17(16)27-19)11-24-5-7-26-8-6-24/h1-4,9-10H,5-8,11H2,(H,22,23,25)
InChIKeyQAWBESSNSYSNCA-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.66
Rot. Bonds4

About 3,4-difluoro-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide

3,4-difluoro-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide (PubChem CID 108740915) has the molecular formula C19H17F2N3O2S and a molecular weight of 389.43 g/mol. Its IUPAC name is 3,4-difluoro-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide
PubChem CID108740915
Molecular FormulaC19H17F2N3O2S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name3,4-difluoro-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide
SMILESO=C(Nc1nc2ccc(CN3CCOCC3)cc2s1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H17F2N3O2S/c20-14-3-2-13(10-15(14)21)18(25)23-19-22-16-4-1-12(9-17(16)27-19)11-24-5-7-26-8-6-24/h1-4,9-10H,5-8,11H2,(H,22,23,25)
InChIKeyQAWBESSNSYSNCA-UHFFFAOYSA-N
XLogP3.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide
CID 108740861
4-(4-fluorophenyl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-4-oxobutanamide
CID 108740858
3,4,5-trimethoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide
CID 108763385
N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide
CID 108763411
N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]oxolane-2-carboxamide
CID 108740790
N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 108763394
2-methoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide
CID 108740900
4-(4-methylphenyl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-4-oxobutanamide
CID 108740884
2-chloroethyl N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]carbamate
CID 108740850
N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide
CID 108740918
N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(morpholin-4-ylmethyl)-4-oxo-3H-quinazoline-7-carboxamide
CID 135415408
2-(4-chlorophenyl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 108799364

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide?
The IUPAC name of 3,4-difluoro-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide (CID 108740915) is 3,4-difluoro-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide is O=C(Nc1nc2ccc(CN3CCOCC3)cc2s1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide?
The InChIKey is QAWBESSNSYSNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2S/c20-14-3-2-13(10-15(14)21)18(25)23-19-22-16-4-1-12(9-17(16)27-19)11-24-5-7-26-8-6-24/h1-4,9-10H,5-8,11H2,(H,22,23,25).
What are the key properties of 3,4-difluoro-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide?
3,4-difluoro-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide has a molecular weight of 389.43 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide is sourced from PubChem (CID 108740915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).