N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoline-2-carboxamide

C15H13N3OS — CID 17399707

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)quinoline-2-carboxamide
SMILESCc1nc(NC(=O)c2ccc3ccccc3n2)sc1C
InChIInChI=1S/C15H13N3OS/c1-9-10(2)20-15(16-9)18-14(19)13-8-7-11-5-3-4-6-12(11)17-13/h3-8H,1-2H3,(H,16,18,19)
InChIKeyGRBXFIBSJIXVCS-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.56
Rot. Bonds2

About N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoline-2-carboxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoline-2-carboxamide (PubChem CID 17399707) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)quinoline-2-carboxamide
PubChem CID17399707
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)quinoline-2-carboxamide
SMILESCc1nc(NC(=O)c2ccc3ccccc3n2)sc1C
InChIInChI=1S/C15H13N3OS/c1-9-10(2)20-15(16-9)18-14(19)13-8-7-11-5-3-4-6-12(11)17-13/h3-8H,1-2H3,(H,16,18,19)
InChIKeyGRBXFIBSJIXVCS-UHFFFAOYSA-N
XLogP3.56
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 55153633
N-(4-acetyl-1,3-thiazol-2-yl)quinoline-2-carboxamide
CID 24555770
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 51205846
N-(5-butyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
CID 26197186
N-(3,5-dimethyl-1H-pyrazol-4-yl)quinoline-2-carboxamide
CID 43546417
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
CID 17402298
N-(3-hydroxy-2-methylphenyl)quinoline-2-carboxamide
CID 64794719
N-(2-chlorophenyl)quinoline-2-carboxamide
CID 878226
1-benzyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)triazole-4-carboxamide
CID 18152907
methyl 2-[2-(quinoline-2-carbonylamino)-1,3-thiazol-4-yl]acetate
CID 38986621
N-(4-bromophenyl)quinoline-2-carboxamide
CID 5112006
N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 693380

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoline-2-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoline-2-carboxamide (CID 17399707) is N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoline-2-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoline-2-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoline-2-carboxamide is Cc1nc(NC(=O)c2ccc3ccccc3n2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoline-2-carboxamide?
The InChIKey is GRBXFIBSJIXVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-9-10(2)20-15(16-9)18-14(19)13-8-7-11-5-3-4-6-12(11)17-13/h3-8H,1-2H3,(H,16,18,19).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoline-2-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoline-2-carboxamide has a molecular weight of 283.36 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoline-2-carboxamide is sourced from PubChem (CID 17399707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).