N-(2-methoxyquinolin-6-yl)-2-methyl-1,3-thiazole-4-carboxamide

C15H13N3O2S — CID 86883645

IUPACN-(2-methoxyquinolin-6-yl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc2cc(NC(=O)c3csc(C)n3)ccc2n1
InChIInChI=1S/C15H13N3O2S/c1-9-16-13(8-21-9)15(19)17-11-4-5-12-10(7-11)3-6-14(18-12)20-2/h3-8H,1-2H3,(H,17,19)
InChIKeyIRHQAXHEPBVYJT-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.26
Rot. Bonds3

About N-(2-methoxyquinolin-6-yl)-2-methyl-1,3-thiazole-4-carboxamide

N-(2-methoxyquinolin-6-yl)-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 86883645) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-(2-methoxyquinolin-6-yl)-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyquinolin-6-yl)-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID86883645
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC NameN-(2-methoxyquinolin-6-yl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc2cc(NC(=O)c3csc(C)n3)ccc2n1
InChIInChI=1S/C15H13N3O2S/c1-9-16-13(8-21-9)15(19)17-11-4-5-12-10(7-11)3-6-14(18-12)20-2/h3-8H,1-2H3,(H,17,19)
InChIKeyIRHQAXHEPBVYJT-UHFFFAOYSA-N
XLogP3.26
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-4-methylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65199836
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 59813538
N-(4-amino-3-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 82861418
2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 110465342
2-methyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-thiazole-4-carboxamide
CID 47445064
2-methyl-N-(2-methyl-1,3-dihydroisoindol-5-yl)-1,3-thiazole-4-carboxamide
CID 110465368
N-(3-ethynylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 47443678
1-(2-hydroxyethyl)-3-(2-methoxyquinolin-6-yl)-1-(thiophen-3-ylmethyl)urea
CID 86884660
2-methyl-2-[4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]phenyl]propanoic acid
CID 80549406
6-methoxy-N-(4-methyl-1,3-thiazol-2-yl)quinoline-2-carboxamide
CID 35801722
N-(2-amino-4-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65199378
N-(4-methoxyphenyl)-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948355

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyquinolin-6-yl)-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-methoxyquinolin-6-yl)-2-methyl-1,3-thiazole-4-carboxamide (CID 86883645) is N-(2-methoxyquinolin-6-yl)-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-methoxyquinolin-6-yl)-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-methoxyquinolin-6-yl)-2-methyl-1,3-thiazole-4-carboxamide is COc1ccc2cc(NC(=O)c3csc(C)n3)ccc2n1.
What is the InChIKey of N-(2-methoxyquinolin-6-yl)-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is IRHQAXHEPBVYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-9-16-13(8-21-9)15(19)17-11-4-5-12-10(7-11)3-6-14(18-12)20-2/h3-8H,1-2H3,(H,17,19).
What are the key properties of N-(2-methoxyquinolin-6-yl)-2-methyl-1,3-thiazole-4-carboxamide?
N-(2-methoxyquinolin-6-yl)-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyquinolin-6-yl)-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 86883645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).