2-(3-chlorophenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide

C20H20ClN3O3S — CID 42917725

IUPAC2-(3-chlorophenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C20H20ClN3O3S/c1-13(27-16-4-2-3-14(21)11-16)19(25)22-15-5-6-17-18(12-15)28-20(23-17)24-7-9-26-10-8-24/h2-6,11-13H,7-10H2,1H3,(H,22,25)
InChIKeyAEYWSDVFQFPTPX-UHFFFAOYSA-N
MW417.92 g/mol
LogP4.19
Rot. Bonds5

About 2-(3-chlorophenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide

2-(3-chlorophenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide (PubChem CID 42917725) has the molecular formula C20H20ClN3O3S and a molecular weight of 417.92 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide
PubChem CID42917725
Molecular FormulaC20H20ClN3O3S
Molecular Weight417.92 g/mol
Exact Mass417.09
IUPAC Name2-(3-chlorophenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C20H20ClN3O3S/c1-13(27-16-4-2-3-14(21)11-16)19(25)22-15-5-6-17-18(12-15)28-20(23-17)24-7-9-26-10-8-24/h2-6,11-13H,7-10H2,1H3,(H,22,25)
InChIKeyAEYWSDVFQFPTPX-UHFFFAOYSA-N
XLogP4.19
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(carbamoylamino)-3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide
CID 34186868
4-chloro-2-fluoro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
CID 25499411
(2S)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)propanamide
CID 7741991
N-(3-methoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 46261522
(2S)-2-(3-chlorophenoxy)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide
CID 100532433
2,5-dichloro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-3-carboxamide
CID 37040838
3-acetamido-3-(4-chlorophenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide
CID 55381431
3-methoxy-N-[2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]benzamide
CID 17482439
benzyl N-[3-methyl-1-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-1-oxobutan-2-yl]carbamate
CID 167839353
4-amino-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide
CID 120594765
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
4-(6-chloro-1,3-benzothiazol-2-yl)morpholine
CID 2741382

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide (CID 42917725) is 2-(3-chlorophenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide is CC(Oc1cccc(Cl)c1)C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide?
The InChIKey is AEYWSDVFQFPTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3S/c1-13(27-16-4-2-3-14(21)11-16)19(25)22-15-5-6-17-18(12-15)28-20(23-17)24-7-9-26-10-8-24/h2-6,11-13H,7-10H2,1H3,(H,22,25).
What are the key properties of 2-(3-chlorophenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide?
2-(3-chlorophenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide has a molecular weight of 417.92 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide is sourced from PubChem (CID 42917725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).