3-methoxy-N-[2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]benzamide

C21H22N4O4S — CID 17482439

IUPAC3-methoxy-N-[2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]benzamide
SMILESCOc1cccc(C(=O)NCC(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c1
InChIInChI=1S/C21H22N4O4S/c1-28-16-4-2-3-14(11-16)20(27)22-13-19(26)23-15-5-6-17-18(12-15)30-21(24-17)25-7-9-29-10-8-25/h2-6,11-12H,7-10,13H2,1H3,(H,22,27)(H,23,26)
InChIKeyJKIMKQMVPFBHGF-UHFFFAOYSA-N
MW426.50 g/mol
LogP2.51
Rot. Bonds6

About 3-methoxy-N-[2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]benzamide

3-methoxy-N-[2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]benzamide (PubChem CID 17482439) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is 3-methoxy-N-[2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]benzamide
PubChem CID17482439
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC Name3-methoxy-N-[2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]benzamide
SMILESCOc1cccc(C(=O)NCC(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c1
InChIInChI=1S/C21H22N4O4S/c1-28-16-4-2-3-14(11-16)20(27)22-13-19(26)23-15-5-6-17-18(12-15)30-21(24-17)25-7-9-29-10-8-25/h2-6,11-12H,7-10,13H2,1H3,(H,22,27)(H,23,26)
InChIKeyJKIMKQMVPFBHGF-UHFFFAOYSA-N
XLogP2.51
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 46261522
2,2-dimethyl-N-[2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]propanamide
CID 36803011
N-[3-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 46589452
N-[2-(3-methoxyanilino)-2-oxoethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide
CID 42535341
4-amino-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide
CID 120594765
2,4,5-trimethoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
CID 17493258
3-(2,3-dimethylphenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide
CID 55596101
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hexanamide
CID 43027638
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-(pyrimidin-2-ylamino)benzamide
CID 35445200
N-(2,5-dimethoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 24793595
2-(3-fluoro-4-methoxyphenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)acetamide
CID 17470104
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 56538097

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]benzamide (CID 17482439) is 3-methoxy-N-[2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]benzamide is COc1cccc(C(=O)NCC(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c1.
What is the InChIKey of 3-methoxy-N-[2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is JKIMKQMVPFBHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c1-28-16-4-2-3-14(11-16)20(27)22-13-19(26)23-15-5-6-17-18(12-15)30-21(24-17)25-7-9-29-10-8-25/h2-6,11-12H,7-10,13H2,1H3,(H,22,27)(H,23,26).
What are the key properties of 3-methoxy-N-[2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]benzamide?
3-methoxy-N-[2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 426.50 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 17482439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).