N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-4-bromobenzamide

C25H21BrN2O3S — CID 126204701

IUPACN-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-4-bromobenzamide
SMILESCOc1ccc(-c2s/c(=N\C(=O)c3ccc(Br)cc3)n(C)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H21BrN2O3S/c1-28-22(16-6-12-20(30-2)13-7-16)23(17-8-14-21(31-3)15-9-17)32-25(28)27-24(29)18-4-10-19(26)11-5-18/h4-15H,1-3H3/b27-25-
InChIKeyBBDSXIFJGRSBLL-RFBIWTDZSA-N
MW509.43 g/mol
LogP5.94
Rot. Bonds5

About N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-4-bromobenzamide

N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-4-bromobenzamide (PubChem CID 126204701) has the molecular formula C25H21BrN2O3S and a molecular weight of 509.43 g/mol. Its IUPAC name is N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-4-bromobenzamide.

Molecular Properties

Compound NameN-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-4-bromobenzamide
PubChem CID126204701
Molecular FormulaC25H21BrN2O3S
Molecular Weight509.43 g/mol
Exact Mass508.05
IUPAC NameN-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-4-bromobenzamide
SMILESCOc1ccc(-c2s/c(=N\C(=O)c3ccc(Br)cc3)n(C)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H21BrN2O3S/c1-28-22(16-6-12-20(30-2)13-7-16)23(17-8-14-21(31-3)15-9-17)32-25(28)27-24(29)18-4-10-19(26)11-5-18/h4-15H,1-3H3/b27-25-
InChIKeyBBDSXIFJGRSBLL-RFBIWTDZSA-N
XLogP5.94
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.43
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-4-fluorobenzamide
CID 126203694
N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-3-bromo-4-methoxybenzamide
CID 126200149
N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-3-chlorobenzamide
CID 126203998
N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide
CID 5197134
2-chloro-N-[4-(4-methoxyphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzamide
CID 126198964
4-tert-butyl-N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]benzamide
CID 126201256
3,4-dimethoxy-N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]benzamide
CID 1021951
N-[4-(4-methoxyphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]adamantane-1-carboxamide
CID 126213225
methyl 2-(4-bromobenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate
CID 2104961
N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]pyridine-3-carboxamide
CID 838621
N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121045170
methyl 4-[(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
CID 5183743

Frequently Asked Questions

What is the IUPAC name of N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-4-bromobenzamide?
The IUPAC name of N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-4-bromobenzamide (CID 126204701) is N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-4-bromobenzamide.
What is the SMILES notation for N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-4-bromobenzamide?
The canonical SMILES for N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-4-bromobenzamide is COc1ccc(-c2s/c(=N\C(=O)c3ccc(Br)cc3)n(C)c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-4-bromobenzamide?
The InChIKey is BBDSXIFJGRSBLL-RFBIWTDZSA-N. The full InChI is InChI=1S/C25H21BrN2O3S/c1-28-22(16-6-12-20(30-2)13-7-16)23(17-8-14-21(31-3)15-9-17)32-25(28)27-24(29)18-4-10-19(26)11-5-18/h4-15H,1-3H3/b27-25-.
What are the key properties of N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-4-bromobenzamide?
N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-4-bromobenzamide has a molecular weight of 509.43 g/mol, XLogP of 5.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-4-bromobenzamide is sourced from PubChem (CID 126204701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).