4-bromo-N-[4-[2-[(4-bromobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide

C20H12Br2N4O2S2 — CID 3408651

IUPAC4-bromo-N-[4-[2-[(4-bromobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2csc(NC(=O)c3ccc(Br)cc3)n2)cs1)c1ccc(Br)cc1
InChIInChI=1S/C20H12Br2N4O2S2/c21-13-5-1-11(2-6-13)17(27)25-19-23-15(9-29-19)16-10-30-20(24-16)26-18(28)12-3-7-14(22)8-4-12/h1-10H,(H,23,25,27)(H,24,26,28)
InChIKeyCZNDZABBGMEPMO-UHFFFAOYSA-N
MW564.28 g/mol
LogP6.30
Rot. Bonds5

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

4-bromo-N-[4-[2-[(4-bromobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide (PubChem CID 3408651) has the molecular formula C20H12Br2N4O2S2 and a molecular weight of 564.28 g/mol. Its IUPAC name is 4-bromo-N-[4-[2-[(4-bromobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[4-[2-[(4-bromobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
PubChem CID3408651
Molecular FormulaC20H12Br2N4O2S2
Molecular Weight564.28 g/mol
Exact Mass561.88
IUPAC Name4-bromo-N-[4-[2-[(4-bromobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2csc(NC(=O)c3ccc(Br)cc3)n2)cs1)c1ccc(Br)cc1
InChIInChI=1S/C20H12Br2N4O2S2/c21-13-5-1-11(2-6-13)17(27)25-19-23-15(9-29-19)16-10-30-20(24-16)26-18(28)12-3-7-14(22)8-4-12/h1-10H,(H,23,25,27)(H,24,26,28)
InChIKeyCZNDZABBGMEPMO-UHFFFAOYSA-N
XLogP6.30
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.28
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 988802
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-bromobenzamide
CID 28861346
4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 683754
N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide
CID 4294892
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide
CID 3584332
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 41189986
N-[4-[4-(4-bromophenyl)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 152683928
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(dipropylsulfamoyl)benzamide
CID 3271208
3-acetamido-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide
CID 41190009
4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide
CID 4574382
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(carbamoylamino)benzamide
CID 78775294
5-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 1407187

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-[2-[(4-bromobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-bromo-N-[4-[2-[(4-bromobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide (CID 3408651) is 4-bromo-N-[4-[2-[(4-bromobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-bromo-N-[4-[2-[(4-bromobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-bromo-N-[4-[2-[(4-bromobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(-c2csc(NC(=O)c3ccc(Br)cc3)n2)cs1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[4-[2-[(4-bromobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is CZNDZABBGMEPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Br2N4O2S2/c21-13-5-1-11(2-6-13)17(27)25-19-23-15(9-29-19)16-10-30-20(24-16)26-18(28)12-3-7-14(22)8-4-12/h1-10H,(H,23,25,27)(H,24,26,28).
What are the key properties of 4-bromo-N-[4-[2-[(4-bromobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide?
4-bromo-N-[4-[2-[(4-bromobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 564.28 g/mol, XLogP of 6.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-[2-[(4-bromobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 3408651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).