N-(1,3-benzothiazol-2-yl)-2-(2,4-difluorophenyl)morpholine-4-carboxamide

C18H15F2N3O2S — CID 126783807

IUPACN-(1,3-benzothiazol-2-yl)-2-(2,4-difluorophenyl)morpholine-4-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)N1CCOC(c2ccc(F)cc2F)C1
InChIInChI=1S/C18H15F2N3O2S/c19-11-5-6-12(13(20)9-11)15-10-23(7-8-25-15)18(24)22-17-21-14-3-1-2-4-16(14)26-17/h1-6,9,15H,7-8,10H2,(H,21,22,24)
InChIKeyOCIHSROEWVGWDN-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.18
Rot. Bonds2

About N-(1,3-benzothiazol-2-yl)-2-(2,4-difluorophenyl)morpholine-4-carboxamide

N-(1,3-benzothiazol-2-yl)-2-(2,4-difluorophenyl)morpholine-4-carboxamide (PubChem CID 126783807) has the molecular formula C18H15F2N3O2S and a molecular weight of 375.40 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(2,4-difluorophenyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(2,4-difluorophenyl)morpholine-4-carboxamide
PubChem CID126783807
Molecular FormulaC18H15F2N3O2S
Molecular Weight375.40 g/mol
Exact Mass375.09
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(2,4-difluorophenyl)morpholine-4-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)N1CCOC(c2ccc(F)cc2F)C1
InChIInChI=1S/C18H15F2N3O2S/c19-11-5-6-12(13(20)9-11)15-10-23(7-8-25-15)18(24)22-17-21-14-3-1-2-4-16(14)26-17/h1-6,9,15H,7-8,10H2,(H,21,22,24)
InChIKeyOCIHSROEWVGWDN-UHFFFAOYSA-N
XLogP4.18
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,3-benzothiazol-2-yl)-2-(2,4-difluorophenyl)morpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzothiazol-2-yl)-3,5-dimethylpiperidine-1-carboxamide
CID 46699373
[(2R)-2-(2,4-difluorophenyl)morpholin-4-yl]-(3-hydroxyphenyl)methanone
CID 124618947
N-(1,3-benzothiazol-2-yl)morpholine-4-carboxamide;thiocyanic acid
CID 172824956
(4aR,8aR)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 9118744
(2S)-N-(1,3-benzothiazol-2-yl)-2-propan-2-ylthiomorpholine-4-carboxamide
CID 99817572
N-(1,3-benzothiazol-2-yl)-4-(dimethylamino)piperidine-1-carboxamide
CID 51078799
[(2R)-2-(2,4-difluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
CID 124618941
1-[5-(1,3-benzothiazol-2-ylamino)-8-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl]ethanone
CID 133476005
N-(1,3-benzothiazol-2-yl)-4-pyrrol-1-ylpiperidine-1-carboxamide
CID 75418516
N-(1,3-benzothiazol-2-yl)-4-(4-hydroxybenzoyl)piperidine-1-carboxamide
CID 51324893
N-(1,3-benzothiazol-2-yl)-2-(2-methylmorpholin-4-yl)propanamide
CID 60507938
4-(1H-benzimidazol-2-yl)-2-(2,4-difluorophenyl)morpholine
CID 139009416

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(2,4-difluorophenyl)morpholine-4-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(2,4-difluorophenyl)morpholine-4-carboxamide (CID 126783807) is N-(1,3-benzothiazol-2-yl)-2-(2,4-difluorophenyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(2,4-difluorophenyl)morpholine-4-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(2,4-difluorophenyl)morpholine-4-carboxamide is O=C(Nc1nc2ccccc2s1)N1CCOC(c2ccc(F)cc2F)C1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(2,4-difluorophenyl)morpholine-4-carboxamide?
The InChIKey is OCIHSROEWVGWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O2S/c19-11-5-6-12(13(20)9-11)15-10-23(7-8-25-15)18(24)22-17-21-14-3-1-2-4-16(14)26-17/h1-6,9,15H,7-8,10H2,(H,21,22,24).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(2,4-difluorophenyl)morpholine-4-carboxamide?
N-(1,3-benzothiazol-2-yl)-2-(2,4-difluorophenyl)morpholine-4-carboxamide has a molecular weight of 375.40 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(2,4-difluorophenyl)morpholine-4-carboxamide is sourced from PubChem (CID 126783807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).