N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]quinoline-2-carboxamide

C22H19N3O2S — CID 9117772

IUPACN-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]quinoline-2-carboxamide
SMILESCOCCc1ccc(-c2csc(NC(=O)c3ccc4ccccc4n3)n2)cc1
InChIInChI=1S/C22H19N3O2S/c1-27-13-12-15-6-8-17(9-7-15)20-14-28-22(24-20)25-21(26)19-11-10-16-4-2-3-5-18(16)23-19/h2-11,14H,12-13H2,1H3,(H,24,25,26)
InChIKeyAOQYCSQFPYQKFL-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.80
Rot. Bonds6

About N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]quinoline-2-carboxamide

N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]quinoline-2-carboxamide (PubChem CID 9117772) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]quinoline-2-carboxamide
PubChem CID9117772
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC NameN-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]quinoline-2-carboxamide
SMILESCOCCc1ccc(-c2csc(NC(=O)c3ccc4ccccc4n3)n2)cc1
InChIInChI=1S/C22H19N3O2S/c1-27-13-12-15-6-8-17(9-7-15)20-14-28-22(24-20)25-21(26)19-11-10-16-4-2-3-5-18(16)23-19/h2-11,14H,12-13H2,1H3,(H,24,25,26)
InChIKeyAOQYCSQFPYQKFL-UHFFFAOYSA-N
XLogP4.80
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 9100665
3-fluoro-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 9100757
methyl 2-[2-(quinoline-2-carbonylamino)-1,3-thiazol-4-yl]acetate
CID 38986621
N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]quinoxaline-2-carboxamide
CID 8023461
N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 17405575
N-(4-acetyl-1,3-thiazol-2-yl)quinoline-2-carboxamide
CID 24555770
(2S)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26707892
N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 9100810
N-[4-methylsulfanyl-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl]quinoline-2-carboxamide
CID 167985672
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)benzamide
CID 60564262
4-(2,5-dioxopyrrolidin-1-yl)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 16557500
2-N,6-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
CID 4195615

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]quinoline-2-carboxamide?
The IUPAC name of N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]quinoline-2-carboxamide (CID 9117772) is N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]quinoline-2-carboxamide.
What is the SMILES notation for N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]quinoline-2-carboxamide?
The canonical SMILES for N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]quinoline-2-carboxamide is COCCc1ccc(-c2csc(NC(=O)c3ccc4ccccc4n3)n2)cc1.
What is the InChIKey of N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]quinoline-2-carboxamide?
The InChIKey is AOQYCSQFPYQKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-27-13-12-15-6-8-17(9-7-15)20-14-28-22(24-20)25-21(26)19-11-10-16-4-2-3-5-18(16)23-19/h2-11,14H,12-13H2,1H3,(H,24,25,26).
What are the key properties of N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]quinoline-2-carboxamide?
N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]quinoline-2-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]quinoline-2-carboxamide is sourced from PubChem (CID 9117772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).