1-methyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoquinoline-4-carboxamide

C19H16N4O2S — CID 55756003

IUPAC1-methyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoquinoline-4-carboxamide
SMILESCn1c(=O)cc(C(=O)N/N=c2\sc3ccccc3n2C)c2ccccc21
InChIInChI=1S/C19H16N4O2S/c1-22-14-8-4-3-7-12(14)13(11-17(22)24)18(25)20-21-19-23(2)15-9-5-6-10-16(15)26-19/h3-11H,1-2H3,(H,20,25)/b21-19-
InChIKeyVOKWFWWHLGRXEH-VZCXRCSSSA-N
MW364.43 g/mol
LogP2.34
Rot. Bonds2

About 1-methyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoquinoline-4-carboxamide

1-methyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoquinoline-4-carboxamide (PubChem CID 55756003) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 1-methyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoquinoline-4-carboxamide
PubChem CID55756003
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name1-methyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoquinoline-4-carboxamide
SMILESCn1c(=O)cc(C(=O)N/N=c2\sc3ccccc3n2C)c2ccccc21
InChIInChI=1S/C19H16N4O2S/c1-22-14-8-4-3-7-12(14)13(11-17(22)24)18(25)20-21-19-23(2)15-9-5-6-10-16(15)26-19/h3-11H,1-2H3,(H,20,25)/b21-19-
InChIKeyVOKWFWWHLGRXEH-VZCXRCSSSA-N
XLogP2.34
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]quinoline-4-carboxamide
CID 18225855
2,5-dichloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]thiophene-3-carboxamide
CID 7087730
2-fluoro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide
CID 6900936
2-bromo-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide
CID 6900940
2,3-dichloro-N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide
CID 2354326
2,5-dimethoxy-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide
CID 16556778
N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(propan-2-ylcarbamoylamino)benzamide
CID 60550796
N-(benzhydrylideneamino)-1-methyl-2-oxoquinoline-4-carboxamide
CID 55753020
N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2,4-dinitrobenzamide
CID 6998819
4-chloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-1H-pyrrole-2-carboxamide
CID 47118697
5-bromo-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]pyridine-3-carboxamide
CID 86769945
2-[cyclopropanecarbonyl(methyl)amino]-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide
CID 60550823

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoquinoline-4-carboxamide?
The IUPAC name of 1-methyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoquinoline-4-carboxamide (CID 55756003) is 1-methyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoquinoline-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoquinoline-4-carboxamide is Cn1c(=O)cc(C(=O)N/N=c2\sc3ccccc3n2C)c2ccccc21.
What is the InChIKey of 1-methyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoquinoline-4-carboxamide?
The InChIKey is VOKWFWWHLGRXEH-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-22-14-8-4-3-7-12(14)13(11-17(22)24)18(25)20-21-19-23(2)15-9-5-6-10-16(15)26-19/h3-11H,1-2H3,(H,20,25)/b21-19-.
What are the key properties of 1-methyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoquinoline-4-carboxamide?
1-methyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoquinoline-4-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 55756003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).