N-[3-[2-(naphthalene-2-carbonylamino)-1,3-thiazol-4-yl]phenyl]naphthalene-2-carboxamide

C31H21N3O2S — CID 2325470

IUPACN-[3-[2-(naphthalene-2-carbonylamino)-1,3-thiazol-4-yl]phenyl]naphthalene-2-carboxamide
SMILESO=C(Nc1cccc(-c2csc(NC(=O)c3ccc4ccccc4c3)n2)c1)c1ccc2ccccc2c1
InChIInChI=1S/C31H21N3O2S/c35-29(25-14-12-20-6-1-3-8-22(20)16-25)32-27-11-5-10-24(18-27)28-19-37-31(33-28)34-30(36)26-15-13-21-7-2-4-9-23(21)17-26/h1-19H,(H,32,35)(H,33,34,36)
InChIKeyUFZKPNGFOGKDIO-UHFFFAOYSA-N
MW499.60 g/mol
LogP7.62
Rot. Bonds5

About N-[3-[2-(naphthalene-2-carbonylamino)-1,3-thiazol-4-yl]phenyl]naphthalene-2-carboxamide

N-[3-[2-(naphthalene-2-carbonylamino)-1,3-thiazol-4-yl]phenyl]naphthalene-2-carboxamide (PubChem CID 2325470) has the molecular formula C31H21N3O2S and a molecular weight of 499.60 g/mol. Its IUPAC name is N-[3-[2-(naphthalene-2-carbonylamino)-1,3-thiazol-4-yl]phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(naphthalene-2-carbonylamino)-1,3-thiazol-4-yl]phenyl]naphthalene-2-carboxamide
PubChem CID2325470
Molecular FormulaC31H21N3O2S
Molecular Weight499.60 g/mol
Exact Mass499.14
IUPAC NameN-[3-[2-(naphthalene-2-carbonylamino)-1,3-thiazol-4-yl]phenyl]naphthalene-2-carboxamide
SMILESO=C(Nc1cccc(-c2csc(NC(=O)c3ccc4ccccc4c3)n2)c1)c1ccc2ccccc2c1
InChIInChI=1S/C31H21N3O2S/c35-29(25-14-12-20-6-1-3-8-22(20)16-25)32-27-11-5-10-24(18-27)28-19-37-31(33-28)34-30(36)26-15-13-21-7-2-4-9-23(21)17-26/h1-19H,(H,32,35)(H,33,34,36)
InChIKeyUFZKPNGFOGKDIO-UHFFFAOYSA-N
XLogP7.62
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.60
LogP ≤ 57.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[2-(naphthalene-2-carbonylamino)-1,3-thiazol-4-yl]phenyl]naphthalene-2-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 N-[3-[2-(naphthalene-2-carbonylamino)-1,3-thiazol-4-yl]phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[2-(naphthalene-2-carbonylamino)-1,3-thiazol-4-yl]phenyl]naphthalene-2-carboxamide (CID 2325470) is N-[3-[2-(naphthalene-2-carbonylamino)-1,3-thiazol-4-yl]phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[2-(naphthalene-2-carbonylamino)-1,3-thiazol-4-yl]phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[2-(naphthalene-2-carbonylamino)-1,3-thiazol-4-yl]phenyl]naphthalene-2-carboxamide is O=C(Nc1cccc(-c2csc(NC(=O)c3ccc4ccccc4c3)n2)c1)c1ccc2ccccc2c1.
What is the InChIKey of N-[3-[2-(naphthalene-2-carbonylamino)-1,3-thiazol-4-yl]phenyl]naphthalene-2-carboxamide?
The InChIKey is UFZKPNGFOGKDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N3O2S/c35-29(25-14-12-20-6-1-3-8-22(20)16-25)32-27-11-5-10-24(18-27)28-19-37-31(33-28)34-30(36)26-15-13-21-7-2-4-9-23(21)17-26/h1-19H,(H,32,35)(H,33,34,36).
What are the key properties of N-[3-[2-(naphthalene-2-carbonylamino)-1,3-thiazol-4-yl]phenyl]naphthalene-2-carboxamide?
N-[3-[2-(naphthalene-2-carbonylamino)-1,3-thiazol-4-yl]phenyl]naphthalene-2-carboxamide has a molecular weight of 499.60 g/mol, XLogP of 7.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(naphthalene-2-carbonylamino)-1,3-thiazol-4-yl]phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 2325470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).