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

C23H21N5O3S — CID 72550410

IUPAC5-[[4-(2-hydroxyethylamino)benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(NCCO)cc1
InChIInChI=1S/C23H21N5O3S/c24-20(30)19-22(28-21(31)15-6-8-17(9-7-15)25-11-12-29)32-23(27-19)26-18-10-5-14-3-1-2-4-16(14)13-18/h1-10,13,25,29H,11-12H2,(H2,24,30)(H,26,27)(H,28,31)
InChIKeyNDXXLKCPMIKASS-UHFFFAOYSA-N
MW447.52 g/mol
LogP3.80
Rot. Bonds8

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

5-[[4-(2-hydroxyethylamino)benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 72550410) has the molecular formula C23H21N5O3S and a molecular weight of 447.52 g/mol. Its IUPAC name is 5-[[4-(2-hydroxyethylamino)benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[[4-(2-hydroxyethylamino)benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID72550410
Molecular FormulaC23H21N5O3S
Molecular Weight447.52 g/mol
Exact Mass447.14
IUPAC Name5-[[4-(2-hydroxyethylamino)benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(NCCO)cc1
InChIInChI=1S/C23H21N5O3S/c24-20(30)19-22(28-21(31)15-6-8-17(9-7-15)25-11-12-29)32-23(27-19)26-18-10-5-14-3-1-2-4-16(14)13-18/h1-10,13,25,29H,11-12H2,(H2,24,30)(H,26,27)(H,28,31)
InChIKeyNDXXLKCPMIKASS-UHFFFAOYSA-N
XLogP3.80
TPSA129.37 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 53.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 5-[[4-(2-hydroxyethylamino)benzoyl]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-(2-hydroxyethylamino)benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[[4-(2-hydroxyethylamino)benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide (CID 72550410) is 5-[[4-(2-hydroxyethylamino)benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[[4-(2-hydroxyethylamino)benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[[4-(2-hydroxyethylamino)benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide is NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(NCCO)cc1.
What is the InChIKey of 5-[[4-(2-hydroxyethylamino)benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is NDXXLKCPMIKASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3S/c24-20(30)19-22(28-21(31)15-6-8-17(9-7-15)25-11-12-29)32-23(27-19)26-18-10-5-14-3-1-2-4-16(14)13-18/h1-10,13,25,29H,11-12H2,(H2,24,30)(H,26,27)(H,28,31).
What are the key properties of 5-[[4-(2-hydroxyethylamino)benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
5-[[4-(2-hydroxyethylamino)benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 447.52 g/mol, XLogP of 3.80, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-hydroxyethylamino)benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 72550410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).