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

C15H13N3OS — CID 3902261

IUPAC2-methyl-N-(5-methyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2ncc(C)s2)c2ccccc2n1
InChIInChI=1S/C15H13N3OS/c1-9-7-12(11-5-3-4-6-13(11)17-9)14(19)18-15-16-8-10(2)20-15/h3-8H,1-2H3,(H,16,18,19)
InChIKeyGWBSAMNTIXBJLA-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.56
Rot. Bonds2

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

2-methyl-N-(5-methyl-1,3-thiazol-2-yl)quinoline-4-carboxamide (PubChem CID 3902261) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
PubChem CID3902261
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name2-methyl-N-(5-methyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2ncc(C)s2)c2ccccc2n1
InChIInChI=1S/C15H13N3OS/c1-9-7-12(11-5-3-4-6-13(11)17-9)14(19)18-15-16-8-10(2)20-15/h3-8H,1-2H3,(H,16,18,19)
InChIKeyGWBSAMNTIXBJLA-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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)quinoline-4-carboxamide (CID 3902261) is 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)quinoline-4-carboxamide is Cc1cc(C(=O)Nc2ncc(C)s2)c2ccccc2n1.
What is the InChIKey of 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)quinoline-4-carboxamide?
The InChIKey is GWBSAMNTIXBJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-9-7-12(11-5-3-4-6-13(11)17-9)14(19)18-15-16-8-10(2)20-15/h3-8H,1-2H3,(H,16,18,19).
What are the key properties of 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)quinoline-4-carboxamide?
2-methyl-N-(5-methyl-1,3-thiazol-2-yl)quinoline-4-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 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 3902261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).