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

C21H23N3O3S — CID 20886710

IUPACN-[(2-ethoxyphenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C21H23N3O3S/c1-2-27-18-6-4-3-5-16(18)14-22-20(25)15-7-8-17-19(13-15)28-21(23-17)24-9-11-26-12-10-24/h3-8,13H,2,9-12,14H2,1H3,(H,22,25)
InChIKeyICISQJPMYFTAPB-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.46
Rot. Bonds6

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

N-[(2-ethoxyphenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide (PubChem CID 20886710) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
PubChem CID20886710
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-[(2-ethoxyphenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C21H23N3O3S/c1-2-27-18-6-4-3-5-16(18)14-22-20(25)15-7-8-17-19(13-15)28-21(23-17)24-9-11-26-12-10-24/h3-8,13H,2,9-12,14H2,1H3,(H,22,25)
InChIKeyICISQJPMYFTAPB-UHFFFAOYSA-N
XLogP3.46
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 20886718
N-[(4-chlorophenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 20889729
N-[(3-bromophenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 20886712
2-morpholin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-6-carboxamide
CID 117090418
N-[2-[di(propan-2-yl)amino]ethyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 117090773
methyl 2-[(2-morpholin-4-yl-1,3-benzothiazole-6-carbonyl)amino]benzoate
CID 46261528
N-(3-methoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 46261522
N-[3-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 46589452
3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide
CID 71822422
N-(2,5-dimethoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 24793595
N-[(2-ethoxyphenyl)methyl]-4-piperidin-1-ylquinazoline-6-carboxamide
CID 71842381
N-(5-chloro-2-methoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 46261537

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide (CID 20886710) is N-[(2-ethoxyphenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide is CCOc1ccccc1CNC(=O)c1ccc2nc(N3CCOCC3)sc2c1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide?
The InChIKey is ICISQJPMYFTAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-2-27-18-6-4-3-5-16(18)14-22-20(25)15-7-8-17-19(13-15)28-21(23-17)24-9-11-26-12-10-24/h3-8,13H,2,9-12,14H2,1H3,(H,22,25).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide?
N-[(2-ethoxyphenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 20886710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).