N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide

C27H23N3O3S — CID 134024468

IUPACN-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
SMILESCc1ccc2sc(N(Cc3ccccc3)C(=O)c3ccc(Cn4ccccc4=O)o3)nc2c1C
InChIInChI=1S/C27H23N3O3S/c1-18-11-14-23-25(19(18)2)28-27(34-23)30(16-20-8-4-3-5-9-20)26(32)22-13-12-21(33-22)17-29-15-7-6-10-24(29)31/h3-15H,16-17H2,1-2H3
InChIKeyFJFKGMWHXNUBNQ-UHFFFAOYSA-N
MW469.57 g/mol
LogP5.56
Rot. Bonds6

About N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide

N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide (PubChem CID 134024468) has the molecular formula C27H23N3O3S and a molecular weight of 469.57 g/mol. Its IUPAC name is N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
PubChem CID134024468
Molecular FormulaC27H23N3O3S
Molecular Weight469.57 g/mol
Exact Mass469.15
IUPAC NameN-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
SMILESCc1ccc2sc(N(Cc3ccccc3)C(=O)c3ccc(Cn4ccccc4=O)o3)nc2c1C
InChIInChI=1S/C27H23N3O3S/c1-18-11-14-23-25(19(18)2)28-27(34-23)30(16-20-8-4-3-5-9-20)26(32)22-13-12-21(33-22)17-29-15-7-6-10-24(29)31/h3-15H,16-17H2,1-2H3
InChIKeyFJFKGMWHXNUBNQ-UHFFFAOYSA-N
XLogP5.56
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.57
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide with MolForge

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Related Compounds

N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 41106869
N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
CID 30733820
N-benzyl-4-(diethylsulfamoyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 41115797
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-phenylacetamide
CID 30712031
N-benzyl-N-cyclopropyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 38253946
N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 86949998
N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-methoxypropanamide
CID 86883018
N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 7615851
N-[3-[benzyl-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide
CID 30698934
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-3-ylmethyl)chromene-2-carboxamide
CID 40996261
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 40519434
N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 41115931

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
The IUPAC name of N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide (CID 134024468) is N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide is Cc1ccc2sc(N(Cc3ccccc3)C(=O)c3ccc(Cn4ccccc4=O)o3)nc2c1C.
What is the InChIKey of N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
The InChIKey is FJFKGMWHXNUBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O3S/c1-18-11-14-23-25(19(18)2)28-27(34-23)30(16-20-8-4-3-5-9-20)26(32)22-13-12-21(33-22)17-29-15-7-6-10-24(29)31/h3-15H,16-17H2,1-2H3.
What are the key properties of N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide has a molecular weight of 469.57 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 134024468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).