2,4,5-trimethoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide

C21H23N3O5S — CID 17493258

IUPAC2,4,5-trimethoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
SMILESCOc1cc(OC)c(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1OC
InChIInChI=1S/C21H23N3O5S/c1-26-16-12-18(28-3)17(27-2)11-14(16)20(25)22-13-4-5-15-19(10-13)30-21(23-15)24-6-8-29-9-7-24/h4-5,10-12H,6-9H2,1-3H3,(H,22,25)
InChIKeyCMZASXORTYREFT-UHFFFAOYSA-N
MW429.50 g/mol
LogP3.41
Rot. Bonds6

About 2,4,5-trimethoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide

2,4,5-trimethoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide (PubChem CID 17493258) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is 2,4,5-trimethoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide.

Molecular Properties

Compound Name2,4,5-trimethoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
PubChem CID17493258
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC Name2,4,5-trimethoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
SMILESCOc1cc(OC)c(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1OC
InChIInChI=1S/C21H23N3O5S/c1-26-16-12-18(28-3)17(27-2)11-14(16)20(25)22-13-4-5-15-19(10-13)30-21(23-15)24-6-8-29-9-7-24/h4-5,10-12H,6-9H2,1-3H3,(H,22,25)
InChIKeyCMZASXORTYREFT-UHFFFAOYSA-N
XLogP3.41
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2,5-dichloro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-3-carboxamide
CID 37040838
4-butoxy-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
CID 46813412
4-chloro-2-fluoro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
CID 25499411
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
CID 9405180
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)furan-3-carboxamide
CID 27021882
3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 39761645
N-(3-methoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 46261522
1-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-oxoquinoline-4-carboxamide
CID 55756456
1,3,5-trimethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)pyrazole-4-carboxamide
CID 99172414
4-amino-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide
CID 120594765
trans-(1R,2R)-2-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 37040801

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide?
The IUPAC name of 2,4,5-trimethoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide (CID 17493258) is 2,4,5-trimethoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide.
What is the SMILES notation for 2,4,5-trimethoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide?
The canonical SMILES for 2,4,5-trimethoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide is COc1cc(OC)c(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1OC.
What is the InChIKey of 2,4,5-trimethoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide?
The InChIKey is CMZASXORTYREFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-26-16-12-18(28-3)17(27-2)11-14(16)20(25)22-13-4-5-15-19(10-13)30-21(23-15)24-6-8-29-9-7-24/h4-5,10-12H,6-9H2,1-3H3,(H,22,25).
What are the key properties of 2,4,5-trimethoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide?
2,4,5-trimethoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide has a molecular weight of 429.50 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide is sourced from PubChem (CID 17493258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).