2-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)quinoline-4-carboxamide

C19H15N3OS — CID 7942936

IUPAC2-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)quinoline-4-carboxamide
SMILESCc1cc(C(=O)/N=c2/sc3ccccc3n2C)c2ccccc2n1
InChIInChI=1S/C19H15N3OS/c1-12-11-14(13-7-3-4-8-15(13)20-12)18(23)21-19-22(2)16-9-5-6-10-17(16)24-19/h3-11H,1-2H3/b21-19+
InChIKeyHAGIPIBNMWPIRR-XUTLUUPISA-N
MW333.42 g/mol
LogP3.84
Rot. Bonds1

About 2-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)quinoline-4-carboxamide

2-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)quinoline-4-carboxamide (PubChem CID 7942936) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 2-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)quinoline-4-carboxamide
PubChem CID7942936
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC Name2-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)quinoline-4-carboxamide
SMILESCc1cc(C(=O)/N=c2/sc3ccccc3n2C)c2ccccc2n1
InChIInChI=1S/C19H15N3OS/c1-12-11-14(13-7-3-4-8-15(13)20-12)18(23)21-19-22(2)16-9-5-6-10-17(16)24-19/h3-11H,1-2H3/b21-19+
InChIKeyHAGIPIBNMWPIRR-XUTLUUPISA-N
XLogP3.84
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]quinoline-4-carboxamide
CID 18225855
4-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2330376
3-chloro-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-1-benzothiophene-2-carboxamide
CID 4199690
N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]naphthalene-1-carboxamide
CID 4577895
N-(1,3-benzothiazol-2-yl)-3-methyl-1,3-benzothiazol-2-imine
CID 71219201
3-hexyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)-4-oxophthalazine-1-carboxamide
CID 7942747
N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-phenylbenzamide
CID 4984113
2-(3,4-dimethylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 7942632
2-[2-(1-methylindole-3-carbonyl)imino-1,3-benzothiazol-3-yl]butanoic acid
CID 71543046
2-(1,2-benzoxazol-3-yl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 8927463
2,4-dimethyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
CID 4111919
(4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 60634828

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)quinoline-4-carboxamide?
The IUPAC name of 2-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)quinoline-4-carboxamide (CID 7942936) is 2-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)quinoline-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)quinoline-4-carboxamide?
The canonical SMILES for 2-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)quinoline-4-carboxamide is Cc1cc(C(=O)/N=c2/sc3ccccc3n2C)c2ccccc2n1.
What is the InChIKey of 2-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)quinoline-4-carboxamide?
The InChIKey is HAGIPIBNMWPIRR-XUTLUUPISA-N. The full InChI is InChI=1S/C19H15N3OS/c1-12-11-14(13-7-3-4-8-15(13)20-12)18(23)21-19-22(2)16-9-5-6-10-17(16)24-19/h3-11H,1-2H3/b21-19+.
What are the key properties of 2-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)quinoline-4-carboxamide?
2-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)quinoline-4-carboxamide has a molecular weight of 333.42 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)quinoline-4-carboxamide is sourced from PubChem (CID 7942936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).