4-[[2-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetyl]amino]benzamide

C19H15ClN4O3S — CID 27548819

IUPAC4-[[2-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C19H15ClN4O3S/c20-13-5-1-12(2-6-13)18(27)24-19-23-15(10-28-19)9-16(25)22-14-7-3-11(4-8-14)17(21)26/h1-8,10H,9H2,(H2,21,26)(H,22,25)(H,23,24,27)
InChIKeyZOKBDIQYYMVMFX-UHFFFAOYSA-N
MW414.87 g/mol
LogP3.33
Rot. Bonds6

About 4-[[2-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetyl]amino]benzamide

4-[[2-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetyl]amino]benzamide (PubChem CID 27548819) has the molecular formula C19H15ClN4O3S and a molecular weight of 414.87 g/mol. Its IUPAC name is 4-[[2-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetyl]amino]benzamide
PubChem CID27548819
Molecular FormulaC19H15ClN4O3S
Molecular Weight414.87 g/mol
Exact Mass414.06
IUPAC Name4-[[2-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C19H15ClN4O3S/c20-13-5-1-12(2-6-13)18(27)24-19-23-15(10-28-19)9-16(25)22-14-7-3-11(4-8-14)17(21)26/h1-8,10H,9H2,(H2,21,26)(H,22,25)(H,23,24,27)
InChIKeyZOKBDIQYYMVMFX-UHFFFAOYSA-N
XLogP3.33
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.87
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[2-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetyl]amino]benzamide with MolForge

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Related Compounds

4-chloro-N-[4-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567938
2-(2-anilino-1,3-thiazol-4-yl)-N-(4-chlorophenyl)acetamide
CID 30940405
4-chloro-N-[4-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 41230136
4-chloro-N-[4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 41213345
4-[3-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]propanoylamino]benzamide
CID 42208627
4-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 82547522
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 20930709
4-chloro-N-[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567945
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-benzamidobenzamide
CID 24658588
N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 26841922
4-chloro-N-[4-[2-oxo-2-(2-phenylanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 41213333
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 18567598

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetyl]amino]benzamide (CID 27548819) is 4-[[2-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetyl]amino]benzamide is NC(=O)c1ccc(NC(=O)Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 4-[[2-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetyl]amino]benzamide?
The InChIKey is ZOKBDIQYYMVMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O3S/c20-13-5-1-12(2-6-13)18(27)24-19-23-15(10-28-19)9-16(25)22-14-7-3-11(4-8-14)17(21)26/h1-8,10H,9H2,(H2,21,26)(H,22,25)(H,23,24,27).
What are the key properties of 4-[[2-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetyl]amino]benzamide?
4-[[2-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetyl]amino]benzamide has a molecular weight of 414.87 g/mol, XLogP of 3.33, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetyl]amino]benzamide is sourced from PubChem (CID 27548819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).