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

C28H18N4O2S2 — CID 5066416

IUPACN-[4-[2-(naphthalene-1-carbonylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]naphthalene-1-carboxamide
SMILESO=C(Nc1nc(-c2csc(NC(=O)c3cccc4ccccc34)n2)cs1)c1cccc2ccccc12
InChIInChI=1S/C28H18N4O2S2/c33-25(21-13-5-9-17-7-1-3-11-19(17)21)31-27-29-23(15-35-27)24-16-36-28(30-24)32-26(34)22-14-6-10-18-8-2-4-12-20(18)22/h1-16H,(H,29,31,33)(H,30,32,34)
InChIKeyIZSHJGVBZAQWAL-UHFFFAOYSA-N
MW506.61 g/mol
LogP7.08
Rot. Bonds5

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

N-[4-[2-(naphthalene-1-carbonylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]naphthalene-1-carboxamide (PubChem CID 5066416) has the molecular formula C28H18N4O2S2 and a molecular weight of 506.61 g/mol. Its IUPAC name is N-[4-[2-(naphthalene-1-carbonylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(naphthalene-1-carbonylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]naphthalene-1-carboxamide
PubChem CID5066416
Molecular FormulaC28H18N4O2S2
Molecular Weight506.61 g/mol
Exact Mass506.09
IUPAC NameN-[4-[2-(naphthalene-1-carbonylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]naphthalene-1-carboxamide
SMILESO=C(Nc1nc(-c2csc(NC(=O)c3cccc4ccccc34)n2)cs1)c1cccc2ccccc12
InChIInChI=1S/C28H18N4O2S2/c33-25(21-13-5-9-17-7-1-3-11-19(17)21)31-27-29-23(15-35-27)24-16-36-28(30-24)32-26(34)22-14-6-10-18-8-2-4-12-20(18)22/h1-16H,(H,29,31,33)(H,30,32,34)
InChIKeyIZSHJGVBZAQWAL-UHFFFAOYSA-N
XLogP7.08
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.61
LogP ≤ 57.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Related Compounds

N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 5083822
2-[2-[(4-naphthalen-1-yl-1,3-thiazol-2-yl)carbamoyl]phenyl]benzoic acid
CID 3228346
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 17449882
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 64558447
N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 108754689
N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide
CID 4294892
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-hydroxynaphthalene-2-carboxamide
CID 23822903
5-bromo-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 4008258
4-fluoro-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide
CID 694785
N-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]naphthalene-1-carboxamide
CID 3475744
2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 576996
N-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]naphthalene-1-carboxamide
CID 2294024

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(naphthalene-1-carbonylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[4-[2-(naphthalene-1-carbonylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]naphthalene-1-carboxamide (CID 5066416) is N-[4-[2-(naphthalene-1-carbonylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[4-[2-(naphthalene-1-carbonylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[4-[2-(naphthalene-1-carbonylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]naphthalene-1-carboxamide is O=C(Nc1nc(-c2csc(NC(=O)c3cccc4ccccc34)n2)cs1)c1cccc2ccccc12.
What is the InChIKey of N-[4-[2-(naphthalene-1-carbonylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]naphthalene-1-carboxamide?
The InChIKey is IZSHJGVBZAQWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N4O2S2/c33-25(21-13-5-9-17-7-1-3-11-19(17)21)31-27-29-23(15-35-27)24-16-36-28(30-24)32-26(34)22-14-6-10-18-8-2-4-12-20(18)22/h1-16H,(H,29,31,33)(H,30,32,34).
What are the key properties of N-[4-[2-(naphthalene-1-carbonylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]naphthalene-1-carboxamide?
N-[4-[2-(naphthalene-1-carbonylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]naphthalene-1-carboxamide has a molecular weight of 506.61 g/mol, XLogP of 7.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(naphthalene-1-carbonylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 5066416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).