N-[(3-fluorophenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide

C19H18FN3O2S — CID 20886735

IUPACN-[(3-fluorophenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C19H18FN3O2S/c20-15-3-1-2-13(10-15)12-21-18(24)14-4-5-16-17(11-14)26-19(22-16)23-6-8-25-9-7-23/h1-5,10-11H,6-9,12H2,(H,21,24)
InChIKeyBTWFJGDDZLUGIS-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.20
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide

N-[(3-fluorophenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide (PubChem CID 20886735) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
PubChem CID20886735
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC NameN-[(3-fluorophenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C19H18FN3O2S/c20-15-3-1-2-13(10-15)12-21-18(24)14-4-5-16-17(11-14)26-19(22-16)23-6-8-25-9-7-23/h1-5,10-11H,6-9,12H2,(H,21,24)
InChIKeyBTWFJGDDZLUGIS-UHFFFAOYSA-N
XLogP3.20
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide (CID 20886735) is N-[(3-fluorophenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide is O=C(NCc1cccc(F)c1)c1ccc2nc(N3CCOCC3)sc2c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide?
The InChIKey is BTWFJGDDZLUGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c20-15-3-1-2-13(10-15)12-21-18(24)14-4-5-16-17(11-14)26-19(22-16)23-6-8-25-9-7-23/h1-5,10-11H,6-9,12H2,(H,21,24).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide?
N-[(3-fluorophenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 20886735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).