N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylquinoline-6-carboxamide

C19H14BrN3OS — CID 41260676

IUPACN-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylquinoline-6-carboxamide
SMILESCc1ccc2cc(C(=O)/N=c3\sc4cccc(Br)c4n3C)ccc2n1
InChIInChI=1S/C19H14BrN3OS/c1-11-6-7-12-10-13(8-9-15(12)21-11)18(24)22-19-23(2)17-14(20)4-3-5-16(17)25-19/h3-10H,1-2H3/b22-19-
InChIKeyUSIDSJZOFFGOKH-QOCHGBHMSA-N
MW412.31 g/mol
LogP4.60
Rot. Bonds1

About N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylquinoline-6-carboxamide

N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylquinoline-6-carboxamide (PubChem CID 41260676) has the molecular formula C19H14BrN3OS and a molecular weight of 412.31 g/mol. Its IUPAC name is N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylquinoline-6-carboxamide
PubChem CID41260676
Molecular FormulaC19H14BrN3OS
Molecular Weight412.31 g/mol
Exact Mass411.00
IUPAC NameN-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylquinoline-6-carboxamide
SMILESCc1ccc2cc(C(=O)/N=c3\sc4cccc(Br)c4n3C)ccc2n1
InChIInChI=1S/C19H14BrN3OS/c1-11-6-7-12-10-13(8-9-15(12)21-11)18(24)22-19-23(2)17-14(20)4-3-5-16(17)25-19/h3-10H,1-2H3/b22-19-
InChIKeyUSIDSJZOFFGOKH-QOCHGBHMSA-N
XLogP4.60
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.31
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-chlorobenzamide
CID 42387958
N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-(diethylsulfamoyl)benzamide
CID 41235531
N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5224044
N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide
CID 4111203
N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 41235670
ethyl 2-[4,6-dimethyl-2-(2-methylquinoline-6-carbonyl)imino-1,3-benzothiazol-3-yl]acetate
CID 41204509
N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121045472
N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-oxochromene-3-carboxamide
CID 42388106
N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2-methylquinoline-6-carboxamide
CID 7154246
N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 121044606
4-[bis(prop-2-enyl)sulfamoyl]-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 42388148
3-ethylsulfonyl-N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)benzamide
CID 40697546

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylquinoline-6-carboxamide?
The IUPAC name of N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylquinoline-6-carboxamide (CID 41260676) is N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylquinoline-6-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylquinoline-6-carboxamide?
The canonical SMILES for N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylquinoline-6-carboxamide is Cc1ccc2cc(C(=O)/N=c3\sc4cccc(Br)c4n3C)ccc2n1.
What is the InChIKey of N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylquinoline-6-carboxamide?
The InChIKey is USIDSJZOFFGOKH-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H14BrN3OS/c1-11-6-7-12-10-13(8-9-15(12)21-11)18(24)22-19-23(2)17-14(20)4-3-5-16(17)25-19/h3-10H,1-2H3/b22-19-.
What are the key properties of N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylquinoline-6-carboxamide?
N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylquinoline-6-carboxamide has a molecular weight of 412.31 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylquinoline-6-carboxamide is sourced from PubChem (CID 41260676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).