N-[4-(ethylcarbamoyl)quinolin-2-yl]-2-methyl-1,3-thiazole-4-carboxamide

C17H16N4O2S — CID 84595270

IUPACN-[4-(ethylcarbamoyl)quinolin-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1cc(NC(=O)c2csc(C)n2)nc2ccccc12
InChIInChI=1S/C17H16N4O2S/c1-3-18-16(22)12-8-15(20-13-7-5-4-6-11(12)13)21-17(23)14-9-24-10(2)19-14/h4-9H,3H2,1-2H3,(H,18,22)(H,20,21,23)
InChIKeyODOHIYMXCBQCJL-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.00
Rot. Bonds4

About N-[4-(ethylcarbamoyl)quinolin-2-yl]-2-methyl-1,3-thiazole-4-carboxamide

N-[4-(ethylcarbamoyl)quinolin-2-yl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 84595270) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-[4-(ethylcarbamoyl)quinolin-2-yl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(ethylcarbamoyl)quinolin-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID84595270
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN-[4-(ethylcarbamoyl)quinolin-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1cc(NC(=O)c2csc(C)n2)nc2ccccc12
InChIInChI=1S/C17H16N4O2S/c1-3-18-16(22)12-8-15(20-13-7-5-4-6-11(12)13)21-17(23)14-9-24-10(2)19-14/h4-9H,3H2,1-2H3,(H,18,22)(H,20,21,23)
InChIKeyODOHIYMXCBQCJL-UHFFFAOYSA-N
XLogP3.00
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(2,4-dioxoimidazolidin-1-yl)acetyl]amino]-N-ethylquinoline-4-carboxamide
CID 71908589
2-(methylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 115635314
2-(dimethylamino)-N-ethylquinoline-4-carboxamide
CID 53016631
2-(methylamino)-N-(1-methylsulfanylbutan-2-yl)quinoline-4-carboxamide
CID 115903191
N-(2H-indazol-3-ylmethyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 110474112
N-ethyl-2-[(2-fluoro-5-methylphenyl)sulfonylamino]quinoline-4-carboxamide
CID 71907413
N-ethyl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]quinoline-4-carboxamide
CID 71908579
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 72868649
2-benzamido-N-ethyl-1,3-thiazole-4-carboxamide
CID 16914905
N-ethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 17473754
N-[2-[ethyl(methyl)amino]ethyl]-2-(methylamino)quinoline-4-carboxamide
CID 62640042
2-(ethylamino)-N-(2-methylbutyl)quinoline-4-carboxamide
CID 62692096

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylcarbamoyl)quinolin-2-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-(ethylcarbamoyl)quinolin-2-yl]-2-methyl-1,3-thiazole-4-carboxamide (CID 84595270) is N-[4-(ethylcarbamoyl)quinolin-2-yl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-(ethylcarbamoyl)quinolin-2-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-(ethylcarbamoyl)quinolin-2-yl]-2-methyl-1,3-thiazole-4-carboxamide is CCNC(=O)c1cc(NC(=O)c2csc(C)n2)nc2ccccc12.
What is the InChIKey of N-[4-(ethylcarbamoyl)quinolin-2-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is ODOHIYMXCBQCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-3-18-16(22)12-8-15(20-13-7-5-4-6-11(12)13)21-17(23)14-9-24-10(2)19-14/h4-9H,3H2,1-2H3,(H,18,22)(H,20,21,23).
What are the key properties of N-[4-(ethylcarbamoyl)quinolin-2-yl]-2-methyl-1,3-thiazole-4-carboxamide?
N-[4-(ethylcarbamoyl)quinolin-2-yl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylcarbamoyl)quinolin-2-yl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 84595270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).