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

C23H18N4O2S — CID 118062057

IUPAC5-[(4-ethenylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESC=Cc1ccc(C(=O)Nc2sc(Nc3ccc4ccccc4c3)nc2C(N)=O)cc1
InChIInChI=1S/C23H18N4O2S/c1-2-14-7-9-16(10-8-14)21(29)27-22-19(20(24)28)26-23(30-22)25-18-12-11-15-5-3-4-6-17(15)13-18/h2-13H,1H2,(H2,24,28)(H,25,26)(H,27,29)
InChIKeyYKWFLUIZLQRRLO-UHFFFAOYSA-N
MW414.49 g/mol
LogP5.03
Rot. Bonds6

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

5-[(4-ethenylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 118062057) has the molecular formula C23H18N4O2S and a molecular weight of 414.49 g/mol. Its IUPAC name is 5-[(4-ethenylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[(4-ethenylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID118062057
Molecular FormulaC23H18N4O2S
Molecular Weight414.49 g/mol
Exact Mass414.12
IUPAC Name5-[(4-ethenylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESC=Cc1ccc(C(=O)Nc2sc(Nc3ccc4ccccc4c3)nc2C(N)=O)cc1
InChIInChI=1S/C23H18N4O2S/c1-2-14-7-9-16(10-8-14)21(29)27-22-19(20(24)28)26-23(30-22)25-18-12-11-15-5-3-4-6-17(15)13-18/h2-13H,1H2,(H2,24,28)(H,25,26)(H,27,29)
InChIKeyYKWFLUIZLQRRLO-UHFFFAOYSA-N
XLogP5.03
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.49
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[(4-ethenylbenzoyl)amino]-2-(naphthalen-2-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-ethenylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[(4-ethenylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide (CID 118062057) is 5-[(4-ethenylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[(4-ethenylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[(4-ethenylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide is C=Cc1ccc(C(=O)Nc2sc(Nc3ccc4ccccc4c3)nc2C(N)=O)cc1.
What is the InChIKey of 5-[(4-ethenylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is YKWFLUIZLQRRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2S/c1-2-14-7-9-16(10-8-14)21(29)27-22-19(20(24)28)26-23(30-22)25-18-12-11-15-5-3-4-6-17(15)13-18/h2-13H,1H2,(H2,24,28)(H,25,26)(H,27,29).
What are the key properties of 5-[(4-ethenylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
5-[(4-ethenylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 5.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethenylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118062057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).