2-chloro-N-[5-[(4-chlorobenzoyl)amino]-4-thiophen-2-yl-1,3-thiazol-2-yl]benzamide;1,4-dioxane

C25H21Cl2N3O4S2 — CID 45128836

IUPAC2-chloro-N-[5-[(4-chlorobenzoyl)amino]-4-thiophen-2-yl-1,3-thiazol-2-yl]benzamide;1,4-dioxane
SMILESC1COCCO1.O=C(Nc1sc(NC(=O)c2ccccc2Cl)nc1-c1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C21H13Cl2N3O2S2.C4H8O2/c22-13-9-7-12(8-10-13)18(27)25-20-17(16-6-3-11-29-16)24-21(30-20)26-19(28)14-4-1-2-5-15(14)23;1-2-6-4-3-5-1/h1-11H,(H,25,27)(H,24,26,28);1-4H2
InChIKeyCFEWPICMBUJJGK-UHFFFAOYSA-N
MW562.50 g/mol
LogP6.72
Rot. Bonds5

About 2-chloro-N-[5-[(4-chlorobenzoyl)amino]-4-thiophen-2-yl-1,3-thiazol-2-yl]benzamide;1,4-dioxane

2-chloro-N-[5-[(4-chlorobenzoyl)amino]-4-thiophen-2-yl-1,3-thiazol-2-yl]benzamide;1,4-dioxane (PubChem CID 45128836) has the molecular formula C25H21Cl2N3O4S2 and a molecular weight of 562.50 g/mol. Its IUPAC name is 2-chloro-N-[5-[(4-chlorobenzoyl)amino]-4-thiophen-2-yl-1,3-thiazol-2-yl]benzamide;1,4-dioxane.

Molecular Properties

Compound Name2-chloro-N-[5-[(4-chlorobenzoyl)amino]-4-thiophen-2-yl-1,3-thiazol-2-yl]benzamide;1,4-dioxane
PubChem CID45128836
Molecular FormulaC25H21Cl2N3O4S2
Molecular Weight562.50 g/mol
Exact Mass561.04
IUPAC Name2-chloro-N-[5-[(4-chlorobenzoyl)amino]-4-thiophen-2-yl-1,3-thiazol-2-yl]benzamide;1,4-dioxane
SMILESC1COCCO1.O=C(Nc1sc(NC(=O)c2ccccc2Cl)nc1-c1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C21H13Cl2N3O2S2.C4H8O2/c22-13-9-7-12(8-10-13)18(27)25-20-17(16-6-3-11-29-16)24-21(30-20)26-19(28)14-4-1-2-5-15(14)23;1-2-6-4-3-5-1/h1-11H,(H,25,27)(H,24,26,28);1-4H2
InChIKeyCFEWPICMBUJJGK-UHFFFAOYSA-N
XLogP6.72
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.50
LogP ≤ 56.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-N-(2,4-dithiophen-2-yl-1,3-thiazol-5-yl)benzamide
CID 171703835
N-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-2-chlorobenzamide
CID 46300012
4-chloro-N-[2-[[2-(2-fluorophenoxy)acetyl]amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]benzamide
CID 34306485
N-(2-acetamido-4-phenyl-1,3-thiazol-5-yl)-4-chlorobenzamide
CID 23889740
4-fluoro-N-[2-[(2-phenylcyclopropanecarbonyl)amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]benzamide
CID 166597151
N-[5-[(4-chlorobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 34306834
4-chloro-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 979718
2-chloro-N-(4-chlorophenyl)benzamide;4-chloro-N-(4-chlorophenyl)benzamide
CID 159735192
N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-4-methylbenzamide
CID 7918509
N-(2-benzamido-4-phenyl-1,3-thiazol-5-yl)benzamide
CID 46300054
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 4274612
N-(5-acetamido-4-thiophen-2-yl-1,3-thiazol-2-yl)-4-nitrobenzamide;N,N-dimethylformamide
CID 163330265

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-[(4-chlorobenzoyl)amino]-4-thiophen-2-yl-1,3-thiazol-2-yl]benzamide;1,4-dioxane?
The IUPAC name of 2-chloro-N-[5-[(4-chlorobenzoyl)amino]-4-thiophen-2-yl-1,3-thiazol-2-yl]benzamide;1,4-dioxane (CID 45128836) is 2-chloro-N-[5-[(4-chlorobenzoyl)amino]-4-thiophen-2-yl-1,3-thiazol-2-yl]benzamide;1,4-dioxane.
What is the SMILES notation for 2-chloro-N-[5-[(4-chlorobenzoyl)amino]-4-thiophen-2-yl-1,3-thiazol-2-yl]benzamide;1,4-dioxane?
The canonical SMILES for 2-chloro-N-[5-[(4-chlorobenzoyl)amino]-4-thiophen-2-yl-1,3-thiazol-2-yl]benzamide;1,4-dioxane is C1COCCO1.O=C(Nc1sc(NC(=O)c2ccccc2Cl)nc1-c1cccs1)c1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-N-[5-[(4-chlorobenzoyl)amino]-4-thiophen-2-yl-1,3-thiazol-2-yl]benzamide;1,4-dioxane?
The InChIKey is CFEWPICMBUJJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2N3O2S2.C4H8O2/c22-13-9-7-12(8-10-13)18(27)25-20-17(16-6-3-11-29-16)24-21(30-20)26-19(28)14-4-1-2-5-15(14)23;1-2-6-4-3-5-1/h1-11H,(H,25,27)(H,24,26,28);1-4H2.
What are the key properties of 2-chloro-N-[5-[(4-chlorobenzoyl)amino]-4-thiophen-2-yl-1,3-thiazol-2-yl]benzamide;1,4-dioxane?
2-chloro-N-[5-[(4-chlorobenzoyl)amino]-4-thiophen-2-yl-1,3-thiazol-2-yl]benzamide;1,4-dioxane has a molecular weight of 562.50 g/mol, XLogP of 6.72, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-[(4-chlorobenzoyl)amino]-4-thiophen-2-yl-1,3-thiazol-2-yl]benzamide;1,4-dioxane is sourced from PubChem (CID 45128836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).