N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylquinoline-6-carboxamide

C20H17N3OS — CID 7152613

IUPACN-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylquinoline-6-carboxamide
SMILESCc1cc(C)c2sc(NC(=O)c3ccc4nc(C)ccc4c3)nc2c1
InChIInChI=1S/C20H17N3OS/c1-11-8-12(2)18-17(9-11)22-20(25-18)23-19(24)15-6-7-16-14(10-15)5-4-13(3)21-16/h4-10H,1-3H3,(H,22,23,24)
InChIKeyPNBSISFBNSLWTD-UHFFFAOYSA-N
MW347.44 g/mol
LogP5.02
Rot. Bonds2

About N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylquinoline-6-carboxamide

N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylquinoline-6-carboxamide (PubChem CID 7152613) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylquinoline-6-carboxamide
PubChem CID7152613
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC NameN-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylquinoline-6-carboxamide
SMILESCc1cc(C)c2sc(NC(=O)c3ccc4nc(C)ccc4c3)nc2c1
InChIInChI=1S/C20H17N3OS/c1-11-8-12(2)18-17(9-11)22-20(25-18)23-19(24)15-6-7-16-14(10-15)5-4-13(3)21-16/h4-10H,1-3H3,(H,22,23,24)
InChIKeyPNBSISFBNSLWTD-UHFFFAOYSA-N
XLogP5.02
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.44
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 7192604
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7565266
methyl 4-[(5,7-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 7192914
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
CID 7192786
4-cyano-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 2150716
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylbenzamide
CID 7193003
N-(5-acetyl-1,3-thiazol-2-yl)-2-methylquinoline-6-carboxamide
CID 122151280
N-benzo[g][1,3]benzothiazol-2-yl-2-methylquinoline-7-carboxamide
CID 4083468
4-(azepan-1-ylsulfonyl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 4073267
5-chloro-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 4134437
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 7193033
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
CID 8718281

Frequently Asked Questions

What is the IUPAC name of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylquinoline-6-carboxamide?
The IUPAC name of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylquinoline-6-carboxamide (CID 7152613) is N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylquinoline-6-carboxamide.
What is the SMILES notation for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylquinoline-6-carboxamide?
The canonical SMILES for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylquinoline-6-carboxamide is Cc1cc(C)c2sc(NC(=O)c3ccc4nc(C)ccc4c3)nc2c1.
What is the InChIKey of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylquinoline-6-carboxamide?
The InChIKey is PNBSISFBNSLWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-11-8-12(2)18-17(9-11)22-20(25-18)23-19(24)15-6-7-16-14(10-15)5-4-13(3)21-16/h4-10H,1-3H3,(H,22,23,24).
What are the key properties of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylquinoline-6-carboxamide?
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylquinoline-6-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 5.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylquinoline-6-carboxamide is sourced from PubChem (CID 7152613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).