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

C18H12BrClN2O2S — CID 29264733

IUPACN-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-chlorobenzamide
SMILESCOc1ccc(Br)c2c1-c1nc(NC(=O)c3ccccc3Cl)sc1C2
InChIInChI=1S/C18H12BrClN2O2S/c1-24-13-7-6-11(19)10-8-14-16(15(10)13)21-18(25-14)22-17(23)9-4-2-3-5-12(9)20/h2-7H,8H2,1H3,(H,21,22,23)
InChIKeyDGJFPQJQTZZJES-UHFFFAOYSA-N
MW435.73 g/mol
LogP5.39
Rot. Bonds3

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

N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-chlorobenzamide (PubChem CID 29264733) has the molecular formula C18H12BrClN2O2S and a molecular weight of 435.73 g/mol. Its IUPAC name is N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-chlorobenzamide.

Molecular Properties

Compound NameN-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-chlorobenzamide
PubChem CID29264733
Molecular FormulaC18H12BrClN2O2S
Molecular Weight435.73 g/mol
Exact Mass433.95
IUPAC NameN-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-chlorobenzamide
SMILESCOc1ccc(Br)c2c1-c1nc(NC(=O)c3ccccc3Cl)sc1C2
InChIInChI=1S/C18H12BrClN2O2S/c1-24-13-7-6-11(19)10-8-14-16(15(10)13)21-18(25-14)22-17(23)9-4-2-3-5-12(9)20/h2-7H,8H2,1H3,(H,21,22,23)
InChIKeyDGJFPQJQTZZJES-UHFFFAOYSA-N
XLogP5.39
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.73
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-chlorobenzamide with MolForge

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Related Compounds

N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide
CID 126061401
N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-2,3-dimethoxybenzamide
CID 7533037
N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-1-(3-chlorophenyl)methanimine
CID 4122585
3-bromo-N-[3-[(2-chlorobenzoyl)amino]phenyl]-4-methoxybenzamide
CID 1333423
N-(4-bromo-1,3-benzothiazol-2-yl)-2-chlorobenzamide
CID 7202712
2-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5107128
N-(1,3-benzothiazol-2-yl)-2-chloro-4,5-dimethoxybenzamide
CID 54516374
N-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-2-chlorobenzamide
CID 46300012
2-chloro-N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1095334
2-chloro-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7192536
2-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 7524836
2-chloro-N-[4-(4-methoxyphenyl)-5-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 2257408

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-chlorobenzamide?
The IUPAC name of N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-chlorobenzamide (CID 29264733) is N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-chlorobenzamide.
What is the SMILES notation for N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-chlorobenzamide?
The canonical SMILES for N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-chlorobenzamide is COc1ccc(Br)c2c1-c1nc(NC(=O)c3ccccc3Cl)sc1C2.
What is the InChIKey of N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-chlorobenzamide?
The InChIKey is DGJFPQJQTZZJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrClN2O2S/c1-24-13-7-6-11(19)10-8-14-16(15(10)13)21-18(25-14)22-17(23)9-4-2-3-5-12(9)20/h2-7H,8H2,1H3,(H,21,22,23).
What are the key properties of N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-chlorobenzamide?
N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-chlorobenzamide has a molecular weight of 435.73 g/mol, XLogP of 5.39, 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)-2-chlorobenzamide is sourced from PubChem (CID 29264733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).