3-bromo-N-[4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide

C23H18BrN3O2S — CID 42764174

IUPAC3-bromo-N-[4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
SMILESCOc1ccccc1Nc1nc(-c2ccc(NC(=O)c3cccc(Br)c3)cc2)cs1
InChIInChI=1S/C23H18BrN3O2S/c1-29-21-8-3-2-7-19(21)26-23-27-20(14-30-23)15-9-11-18(12-10-15)25-22(28)16-5-4-6-17(24)13-16/h2-14H,1H3,(H,25,28)(H,26,27)
InChIKeyMIAOXVZXOBVPHW-UHFFFAOYSA-N
MW480.39 g/mol
LogP6.58
Rot. Bonds6

About 3-bromo-N-[4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide

3-bromo-N-[4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide (PubChem CID 42764174) has the molecular formula C23H18BrN3O2S and a molecular weight of 480.39 g/mol. Its IUPAC name is 3-bromo-N-[4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
PubChem CID42764174
Molecular FormulaC23H18BrN3O2S
Molecular Weight480.39 g/mol
Exact Mass479.03
IUPAC Name3-bromo-N-[4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
SMILESCOc1ccccc1Nc1nc(-c2ccc(NC(=O)c3cccc(Br)c3)cc2)cs1
InChIInChI=1S/C23H18BrN3O2S/c1-29-21-8-3-2-7-19(21)26-23-27-20(14-30-23)15-9-11-18(12-10-15)25-22(28)16-5-4-6-17(24)13-16/h2-14H,1H3,(H,25,28)(H,26,27)
InChIKeyMIAOXVZXOBVPHW-UHFFFAOYSA-N
XLogP6.58
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.39
LogP ≤ 56.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-[3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3877402
N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3265729
3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 52644751
3-bromo-N-[6-(2-methoxyanilino)-3-pyridinyl]benzamide
CID 113019293
N-(2-methoxyphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2303545
4-methoxy-N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 5178891
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 19195103
N-[4-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide
CID 3694257
N-[4-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-2-methoxybenzamide
CID 3650326
N-[4-[2-(2,4-dimethoxyanilino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 1092446
3-bromo-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3657057
3-acetamido-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide
CID 41190009

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide?
The IUPAC name of 3-bromo-N-[4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide (CID 42764174) is 3-bromo-N-[4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide.
What is the SMILES notation for 3-bromo-N-[4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide?
The canonical SMILES for 3-bromo-N-[4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide is COc1ccccc1Nc1nc(-c2ccc(NC(=O)c3cccc(Br)c3)cc2)cs1.
What is the InChIKey of 3-bromo-N-[4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide?
The InChIKey is MIAOXVZXOBVPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrN3O2S/c1-29-21-8-3-2-7-19(21)26-23-27-20(14-30-23)15-9-11-18(12-10-15)25-22(28)16-5-4-6-17(24)13-16/h2-14H,1H3,(H,25,28)(H,26,27).
What are the key properties of 3-bromo-N-[4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide?
3-bromo-N-[4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide has a molecular weight of 480.39 g/mol, XLogP of 6.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide is sourced from PubChem (CID 42764174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).