N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide

C22H15BrN2O2S — CID 126061401

IUPACN-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide
SMILESCOc1ccc(Br)c2c1-c1nc(NC(=O)c3cccc4ccccc34)sc1C2
InChIInChI=1S/C22H15BrN2O2S/c1-27-17-10-9-16(23)15-11-18-20(19(15)17)24-22(28-18)25-21(26)14-8-4-6-12-5-2-3-7-13(12)14/h2-10H,11H2,1H3,(H,24,25,26)
InChIKeyXBKRQFPKSUYLPI-UHFFFAOYSA-N
MW451.35 g/mol
LogP5.89
Rot. Bonds3

About N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide

N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide (PubChem CID 126061401) has the molecular formula C22H15BrN2O2S and a molecular weight of 451.35 g/mol. Its IUPAC name is N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide
PubChem CID126061401
Molecular FormulaC22H15BrN2O2S
Molecular Weight451.35 g/mol
Exact Mass450.00
IUPAC NameN-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide
SMILESCOc1ccc(Br)c2c1-c1nc(NC(=O)c3cccc4ccccc34)sc1C2
InChIInChI=1S/C22H15BrN2O2S/c1-27-17-10-9-16(23)15-11-18-20(19(15)17)24-22(28-18)25-21(26)14-8-4-6-12-5-2-3-7-13(12)14/h2-10H,11H2,1H3,(H,24,25,26)
InChIKeyXBKRQFPKSUYLPI-UHFFFAOYSA-N
XLogP5.89
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.35
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-bromo-8-methoxy-4H-indeno[1,2-d][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-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-chlorobenzamide
CID 29264733
N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-2,3-dimethoxybenzamide
CID 7533037
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide
CID 4115235
N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-1-(3-chlorophenyl)methanimine
CID 4122585
4-methoxy-3-(naphthalene-1-carbonylamino)benzoic acid
CID 28668454
3,4,5-trimethoxy-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
CID 4279938
2,3-dimethoxy-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 7243931
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 4583356
2-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5107128
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 19226508
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 4200975
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 19203542

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide?
The IUPAC name of N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide (CID 126061401) is N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide is COc1ccc(Br)c2c1-c1nc(NC(=O)c3cccc4ccccc34)sc1C2.
What is the InChIKey of N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide?
The InChIKey is XBKRQFPKSUYLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrN2O2S/c1-27-17-10-9-16(23)15-11-18-20(19(15)17)24-22(28-18)25-21(26)14-8-4-6-12-5-2-3-7-13(12)14/h2-10H,11H2,1H3,(H,24,25,26).
What are the key properties of N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide?
N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide has a molecular weight of 451.35 g/mol, XLogP of 5.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 126061401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).