2-(5-chlorothiophen-2-yl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide

C23H12Cl3N3OS2 — CID 3445405

IUPAC2-(5-chlorothiophen-2-yl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1cc(-c2ccc(Cl)s2)nc2ccccc12
InChIInChI=1S/C23H12Cl3N3OS2/c24-12-5-6-14(16(25)9-12)19-11-31-23(28-19)29-22(30)15-10-18(20-7-8-21(26)32-20)27-17-4-2-1-3-13(15)17/h1-11H,(H,28,29,30)
InChIKeyUYVGEJXDUPARIW-UHFFFAOYSA-N
MW516.86 g/mol
LogP8.30
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide

2-(5-chlorothiophen-2-yl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide (PubChem CID 3445405) has the molecular formula C23H12Cl3N3OS2 and a molecular weight of 516.86 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
PubChem CID3445405
Molecular FormulaC23H12Cl3N3OS2
Molecular Weight516.86 g/mol
Exact Mass514.95
IUPAC Name2-(5-chlorothiophen-2-yl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1cc(-c2ccc(Cl)s2)nc2ccccc12
InChIInChI=1S/C23H12Cl3N3OS2/c24-12-5-6-14(16(25)9-12)19-11-31-23(28-19)29-22(30)15-10-18(20-7-8-21(26)32-20)27-17-4-2-1-3-13(15)17/h1-11H,(H,28,29,30)
InChIKeyUYVGEJXDUPARIW-UHFFFAOYSA-N
XLogP8.30
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.86
LogP ≤ 58.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-chlorothiophen-2-yl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide with MolForge

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Related Compounds

N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)quinoline-4-carboxamide
CID 3517701
2-(2,4-dichlorophenyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 5072505
2-(4-chlorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2163412
N-(2-chlorophenyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide
CID 3131012
3-chloro-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 5221339
N-(4-anilinophenyl)-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide
CID 4155187
2-(5-chlorothiophen-2-yl)-N-[3-[[2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 3689968
2-(5-chlorothiophen-2-yl)-N-(2-ethylphenyl)quinoline-4-carboxamide
CID 3457981
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 71592345
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 4167956
2-(2,4-dichlorophenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 3601091
2-(5-chlorothiophen-2-yl)-N-(3-methylphenyl)quinoline-4-carboxamide
CID 1219796

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide (CID 3445405) is 2-(5-chlorothiophen-2-yl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide is O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1cc(-c2ccc(Cl)s2)nc2ccccc12.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide?
The InChIKey is UYVGEJXDUPARIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12Cl3N3OS2/c24-12-5-6-14(16(25)9-12)19-11-31-23(28-19)29-22(30)15-10-18(20-7-8-21(26)32-20)27-17-4-2-1-3-13(15)17/h1-11H,(H,28,29,30).
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide?
2-(5-chlorothiophen-2-yl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide has a molecular weight of 516.86 g/mol, XLogP of 8.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 3445405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).