4-[(2-methyl-1,3-thiazol-4-yl)methylamino]quinoline-2-carboxylic acid

C15H13N3O2S — CID 63377198

IUPAC4-[(2-methyl-1,3-thiazol-4-yl)methylamino]quinoline-2-carboxylic acid
SMILESCc1nc(CNc2cc(C(=O)O)nc3ccccc23)cs1
InChIInChI=1S/C15H13N3O2S/c1-9-17-10(8-21-9)7-16-13-6-14(15(19)20)18-12-5-3-2-4-11(12)13/h2-6,8H,7H2,1H3,(H,16,18)(H,19,20)
InChIKeyNNAGLARXMJKITF-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.31
Rot. Bonds4

About 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]quinoline-2-carboxylic acid

4-[(2-methyl-1,3-thiazol-4-yl)methylamino]quinoline-2-carboxylic acid (PubChem CID 63377198) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]quinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methyl-1,3-thiazol-4-yl)methylamino]quinoline-2-carboxylic acid
PubChem CID63377198
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name4-[(2-methyl-1,3-thiazol-4-yl)methylamino]quinoline-2-carboxylic acid
SMILESCc1nc(CNc2cc(C(=O)O)nc3ccccc23)cs1
InChIInChI=1S/C15H13N3O2S/c1-9-17-10(8-21-9)7-16-13-6-14(15(19)20)18-12-5-3-2-4-11(12)13/h2-6,8H,7H2,1H3,(H,16,18)(H,19,20)
InChIKeyNNAGLARXMJKITF-UHFFFAOYSA-N
XLogP3.31
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-4-amine
CID 61285001
N-[(2-methyl-1,3-thiazol-4-yl)methyl]cinnolin-4-amine
CID 55214545
3-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzoic acid
CID 43736143
4-(2,2-dimethylbutylamino)quinoline-2-carboxylic acid
CID 103462060
4-(3,3,3-trifluoropropylamino)quinoline-2-carboxylic acid
CID 63377479
4-[2-(dimethylamino)propylamino]quinoline-2-carboxylic acid
CID 63377739
4-(2-acetamidoethylamino)quinoline-2-carboxylic acid
CID 63373952
4-amino-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzoic acid
CID 82785079
2-benzyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28780978
4-(2-methylsulfonylethylamino)quinoline-2-carboxylic acid
CID 63374041
2-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28781106
4-(2-methylbutan-2-ylamino)quinoline-2-carboxylic acid
CID 55185061

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]quinoline-2-carboxylic acid?
The IUPAC name of 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]quinoline-2-carboxylic acid (CID 63377198) is 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]quinoline-2-carboxylic acid.
What is the SMILES notation for 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]quinoline-2-carboxylic acid?
The canonical SMILES for 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]quinoline-2-carboxylic acid is Cc1nc(CNc2cc(C(=O)O)nc3ccccc23)cs1.
What is the InChIKey of 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]quinoline-2-carboxylic acid?
The InChIKey is NNAGLARXMJKITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-9-17-10(8-21-9)7-16-13-6-14(15(19)20)18-12-5-3-2-4-11(12)13/h2-6,8H,7H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]quinoline-2-carboxylic acid?
4-[(2-methyl-1,3-thiazol-4-yl)methylamino]quinoline-2-carboxylic acid has a molecular weight of 299.36 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]quinoline-2-carboxylic acid is sourced from PubChem (CID 63377198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).