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

C26H23BrN2O4S — CID 126200149

IUPACN-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-3-bromo-4-methoxybenzamide
SMILESCOc1ccc(-c2s/c(=N\C(=O)c3ccc(OC)c(Br)c3)n(C)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H23BrN2O4S/c1-29-23(16-5-10-19(31-2)11-6-16)24(17-7-12-20(32-3)13-8-17)34-26(29)28-25(30)18-9-14-22(33-4)21(27)15-18/h5-15H,1-4H3/b28-26-
InChIKeyHXRVZEUCENNVBC-SGEDCAFJSA-N
MW539.45 g/mol
LogP5.95
Rot. Bonds6

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

N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-3-bromo-4-methoxybenzamide (PubChem CID 126200149) has the molecular formula C26H23BrN2O4S and a molecular weight of 539.45 g/mol. Its IUPAC name is N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-3-bromo-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-3-bromo-4-methoxybenzamide
PubChem CID126200149
Molecular FormulaC26H23BrN2O4S
Molecular Weight539.45 g/mol
Exact Mass538.06
IUPAC NameN-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-3-bromo-4-methoxybenzamide
SMILESCOc1ccc(-c2s/c(=N\C(=O)c3ccc(OC)c(Br)c3)n(C)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H23BrN2O4S/c1-29-23(16-5-10-19(31-2)11-6-16)24(17-7-12-20(32-3)13-8-17)34-26(29)28-25(30)18-9-14-22(33-4)21(27)15-18/h5-15H,1-4H3/b28-26-
InChIKeyHXRVZEUCENNVBC-SGEDCAFJSA-N
XLogP5.95
TPSA62.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.45
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-4-bromobenzamide
CID 126204701
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-chlorobenzamide
CID 126203998
3,4-dimethoxy-N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]benzamide
CID 1021951
2-chloro-N-[4-(4-methoxyphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzamide
CID 126198964
5-chloro-N-[5-ethyl-4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-2-methoxybenzamide
CID 126205417
N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide
CID 5197134
4-tert-butyl-N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]benzamide
CID 126201256
N-(7-chloro-4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide
CID 7590249
N-[4-(4-ethoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]-3,4,5-trimethoxybenzamide
CID 3335593
N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]pyridine-3-carboxamide
CID 838621
N-[4-(4-fluorophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]-3-methoxybenzamide
CID 1021952

Frequently Asked Questions

What is the IUPAC name of N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-3-bromo-4-methoxybenzamide?
The IUPAC name of N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-3-bromo-4-methoxybenzamide (CID 126200149) is N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-3-bromo-4-methoxybenzamide.
What is the SMILES notation for N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-3-bromo-4-methoxybenzamide?
The canonical SMILES for N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-3-bromo-4-methoxybenzamide is COc1ccc(-c2s/c(=N\C(=O)c3ccc(OC)c(Br)c3)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]-3-bromo-4-methoxybenzamide?
The InChIKey is HXRVZEUCENNVBC-SGEDCAFJSA-N. The full InChI is InChI=1S/C26H23BrN2O4S/c1-29-23(16-5-10-19(31-2)11-6-16)24(17-7-12-20(32-3)13-8-17)34-26(29)28-25(30)18-9-14-22(33-4)21(27)15-18/h5-15H,1-4H3/b28-26-.
What are the key properties of N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-3-bromo-4-methoxybenzamide?
N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-3-bromo-4-methoxybenzamide has a molecular weight of 539.45 g/mol, XLogP of 5.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 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]-3-bromo-4-methoxybenzamide is sourced from PubChem (CID 126200149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).