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

C23H19N5O3S — CID 72550189

IUPAC5-[(4-acetamidobenzoyl)amino]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2sc(Nc3cccc4ccccc34)nc2C(N)=O)cc1
InChIInChI=1S/C23H19N5O3S/c1-13(29)25-16-11-9-15(10-12-16)21(31)28-22-19(20(24)30)27-23(32-22)26-18-8-4-6-14-5-2-3-7-17(14)18/h2-12H,1H3,(H2,24,30)(H,25,29)(H,26,27)(H,28,31)
InChIKeyQAVVLQUXVAZUDJ-UHFFFAOYSA-N
MW445.50 g/mol
LogP4.35
Rot. Bonds6

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

5-[(4-acetamidobenzoyl)amino]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 72550189) has the molecular formula C23H19N5O3S and a molecular weight of 445.50 g/mol. Its IUPAC name is 5-[(4-acetamidobenzoyl)amino]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[(4-acetamidobenzoyl)amino]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID72550189
Molecular FormulaC23H19N5O3S
Molecular Weight445.50 g/mol
Exact Mass445.12
IUPAC Name5-[(4-acetamidobenzoyl)amino]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2sc(Nc3cccc4ccccc34)nc2C(N)=O)cc1
InChIInChI=1S/C23H19N5O3S/c1-13(29)25-16-11-9-15(10-12-16)21(31)28-22-19(20(24)30)27-23(32-22)26-18-8-4-6-14-5-2-3-7-17(14)18/h2-12H,1H3,(H2,24,30)(H,25,29)(H,26,27)(H,28,31)
InChIKeyQAVVLQUXVAZUDJ-UHFFFAOYSA-N
XLogP4.35
TPSA126.21 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 54.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 5-[(4-acetamidobenzoyl)amino]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(4-acetamidobenzoyl)amino]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[(4-acetamidobenzoyl)amino]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide (CID 72550189) is 5-[(4-acetamidobenzoyl)amino]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[(4-acetamidobenzoyl)amino]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[(4-acetamidobenzoyl)amino]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide is CC(=O)Nc1ccc(C(=O)Nc2sc(Nc3cccc4ccccc34)nc2C(N)=O)cc1.
What is the InChIKey of 5-[(4-acetamidobenzoyl)amino]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is QAVVLQUXVAZUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O3S/c1-13(29)25-16-11-9-15(10-12-16)21(31)28-22-19(20(24)30)27-23(32-22)26-18-8-4-6-14-5-2-3-7-17(14)18/h2-12H,1H3,(H2,24,30)(H,25,29)(H,26,27)(H,28,31).
What are the key properties of 5-[(4-acetamidobenzoyl)amino]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide?
5-[(4-acetamidobenzoyl)amino]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 445.50 g/mol, XLogP of 4.35, 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-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 72550189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).