N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-oxochromene-3-carboxamide

C25H25N3O5S — CID 29137593

IUPACN-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-oxochromene-3-carboxamide
SMILESCCOc1cccc2sc(N(CCN3CCOCC3)C(=O)c3coc4ccccc4c3=O)nc12
InChIInChI=1S/C25H25N3O5S/c1-2-32-20-8-5-9-21-22(20)26-25(34-21)28(11-10-27-12-14-31-15-13-27)24(30)18-16-33-19-7-4-3-6-17(19)23(18)29/h3-9,16H,2,10-15H2,1H3
InChIKeyUBJCKBDFZFQKIT-UHFFFAOYSA-N
MW479.56 g/mol
LogP3.78
Rot. Bonds7

About N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-oxochromene-3-carboxamide

N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-oxochromene-3-carboxamide (PubChem CID 29137593) has the molecular formula C25H25N3O5S and a molecular weight of 479.56 g/mol. Its IUPAC name is N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-oxochromene-3-carboxamide
PubChem CID29137593
Molecular FormulaC25H25N3O5S
Molecular Weight479.56 g/mol
Exact Mass479.15
IUPAC NameN-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-oxochromene-3-carboxamide
SMILESCCOc1cccc2sc(N(CCN3CCOCC3)C(=O)c3coc4ccccc4c3=O)nc12
InChIInChI=1S/C25H25N3O5S/c1-2-32-20-8-5-9-21-22(20)26-25(34-21)28(11-10-27-12-14-31-15-13-27)24(30)18-16-33-19-7-4-3-6-17(19)23(18)29/h3-9,16H,2,10-15H2,1H3
InChIKeyUBJCKBDFZFQKIT-UHFFFAOYSA-N
XLogP3.78
TPSA85.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-oxochromene-3-carboxamide
CID 43997008
N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-oxochromene-3-carboxamide
CID 43997004
N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide;hydrochloride
CID 44932961
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-oxochromene-3-carboxamide
CID 29138549
N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)furan-2-carboxamide;hydrochloride
CID 18583075
4-acetyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 29137573
N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxaline-2-carboxamide
CID 43997942
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 29137601
N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 7615556
N-(4-ethoxy-1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 29137576
N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 29137594
N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-phenylbenzamide
CID 43998597

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-oxochromene-3-carboxamide?
The IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-oxochromene-3-carboxamide (CID 29137593) is N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-oxochromene-3-carboxamide.
What is the SMILES notation for N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-oxochromene-3-carboxamide?
The canonical SMILES for N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-oxochromene-3-carboxamide is CCOc1cccc2sc(N(CCN3CCOCC3)C(=O)c3coc4ccccc4c3=O)nc12.
What is the InChIKey of N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-oxochromene-3-carboxamide?
The InChIKey is UBJCKBDFZFQKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5S/c1-2-32-20-8-5-9-21-22(20)26-25(34-21)28(11-10-27-12-14-31-15-13-27)24(30)18-16-33-19-7-4-3-6-17(19)23(18)29/h3-9,16H,2,10-15H2,1H3.
What are the key properties of N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-oxochromene-3-carboxamide?
N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-oxochromene-3-carboxamide has a molecular weight of 479.56 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-oxochromene-3-carboxamide is sourced from PubChem (CID 29137593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).