5-[(4-acetamidobenzoyl)amino]-2-(4-chloroanilino)-1,3-thiazole-4-carboxamide

C19H16ClN5O3S — CID 46234659

IUPAC5-[(4-acetamidobenzoyl)amino]-2-(4-chloroanilino)-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2sc(Nc3ccc(Cl)cc3)nc2C(N)=O)cc1
InChIInChI=1S/C19H16ClN5O3S/c1-10(26)22-13-6-2-11(3-7-13)17(28)25-18-15(16(21)27)24-19(29-18)23-14-8-4-12(20)5-9-14/h2-9H,1H3,(H2,21,27)(H,22,26)(H,23,24)(H,25,28)
InChIKeyIBNXMOFVHFUQFI-UHFFFAOYSA-N
MW429.89 g/mol
LogP3.85
Rot. Bonds6

About 5-[(4-acetamidobenzoyl)amino]-2-(4-chloroanilino)-1,3-thiazole-4-carboxamide

5-[(4-acetamidobenzoyl)amino]-2-(4-chloroanilino)-1,3-thiazole-4-carboxamide (PubChem CID 46234659) has the molecular formula C19H16ClN5O3S and a molecular weight of 429.89 g/mol. Its IUPAC name is 5-[(4-acetamidobenzoyl)amino]-2-(4-chloroanilino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[(4-acetamidobenzoyl)amino]-2-(4-chloroanilino)-1,3-thiazole-4-carboxamide
PubChem CID46234659
Molecular FormulaC19H16ClN5O3S
Molecular Weight429.89 g/mol
Exact Mass429.07
IUPAC Name5-[(4-acetamidobenzoyl)amino]-2-(4-chloroanilino)-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2sc(Nc3ccc(Cl)cc3)nc2C(N)=O)cc1
InChIInChI=1S/C19H16ClN5O3S/c1-10(26)22-13-6-2-11(3-7-13)17(28)25-18-15(16(21)27)24-19(29-18)23-14-8-4-12(20)5-9-14/h2-9H,1H3,(H2,21,27)(H,22,26)(H,23,24)(H,25,28)
InChIKeyIBNXMOFVHFUQFI-UHFFFAOYSA-N
XLogP3.85
TPSA126.21 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.89
LogP ≤ 53.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-methoxybenzoyl)amino]-2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxamide
CID 46234817
5-[(4-chlorobenzoyl)amino]-2-ethyl-1,3-thiazole-4-carboxamide
CID 166419760
2-(4-ethenylanilino)-5-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 59453545
2-[4-(2-hydroxyethoxy)anilino]-5-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 59453488
5-[[4-[2-(dimethylamino)ethoxy]benzoyl]amino]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
CID 59453501
2-[(6-acetylnaphthalen-2-yl)amino]-5-(thiophene-3-carbonylamino)-1,3-thiazole-4-carboxamide
CID 118067696
2-anilino-5-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 17250847
5-[(4-ethenylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 118062057
4-acetamido-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 9094369
N-[4-(4-chloroanilino)phenyl]acetamide
CID 71397904
2-(4-methoxyanilino)-5-[(3-methyl-4-nitrobenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 46896538
5-[[4-[(5-methyltetrazol-1-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 118067709

Frequently Asked Questions

What is the IUPAC name of 5-[(4-acetamidobenzoyl)amino]-2-(4-chloroanilino)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[(4-acetamidobenzoyl)amino]-2-(4-chloroanilino)-1,3-thiazole-4-carboxamide (CID 46234659) is 5-[(4-acetamidobenzoyl)amino]-2-(4-chloroanilino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[(4-acetamidobenzoyl)amino]-2-(4-chloroanilino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[(4-acetamidobenzoyl)amino]-2-(4-chloroanilino)-1,3-thiazole-4-carboxamide is CC(=O)Nc1ccc(C(=O)Nc2sc(Nc3ccc(Cl)cc3)nc2C(N)=O)cc1.
What is the InChIKey of 5-[(4-acetamidobenzoyl)amino]-2-(4-chloroanilino)-1,3-thiazole-4-carboxamide?
The InChIKey is IBNXMOFVHFUQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O3S/c1-10(26)22-13-6-2-11(3-7-13)17(28)25-18-15(16(21)27)24-19(29-18)23-14-8-4-12(20)5-9-14/h2-9H,1H3,(H2,21,27)(H,22,26)(H,23,24)(H,25,28).
What are the key properties of 5-[(4-acetamidobenzoyl)amino]-2-(4-chloroanilino)-1,3-thiazole-4-carboxamide?
5-[(4-acetamidobenzoyl)amino]-2-(4-chloroanilino)-1,3-thiazole-4-carboxamide has a molecular weight of 429.89 g/mol, XLogP of 3.85, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-acetamidobenzoyl)amino]-2-(4-chloroanilino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46234659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).