3-acetamido-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide

C18H14BrN3O2S — CID 41190009

IUPAC3-acetamido-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)c1
InChIInChI=1S/C18H14BrN3O2S/c1-11(23)20-15-4-2-3-13(9-15)17(24)22-18-21-16(10-25-18)12-5-7-14(19)8-6-12/h2-10H,1H3,(H,20,23)(H,21,22,24)
InChIKeyLHACUSJWNSKJNO-UHFFFAOYSA-N
MW416.30 g/mol
LogP4.78
Rot. Bonds4

About 3-acetamido-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide

3-acetamido-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 41190009) has the molecular formula C18H14BrN3O2S and a molecular weight of 416.30 g/mol. Its IUPAC name is 3-acetamido-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID41190009
Molecular FormulaC18H14BrN3O2S
Molecular Weight416.30 g/mol
Exact Mass415.00
IUPAC Name3-acetamido-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)c1
InChIInChI=1S/C18H14BrN3O2S/c1-11(23)20-15-4-2-3-13(9-15)17(24)22-18-21-16(10-25-18)12-5-7-14(19)8-6-12/h2-10H,1H3,(H,20,23)(H,21,22,24)
InChIKeyLHACUSJWNSKJNO-UHFFFAOYSA-N
XLogP4.78
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.30
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8748170
N-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84564814
4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 988802
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55649885
3-(methanesulfonamido)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 18127523
4-acetamido-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2463728
1-N,3-N-bis[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzene-1,3-dicarboxamide
CID 3495731
3-(cyclopropanecarbonylamino)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]benzamide
CID 134049851
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
CID 19195083
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-bromobenzamide
CID 28861346
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide
CID 3584332
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 41190099

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-acetamido-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide (CID 41190009) is 3-acetamido-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-acetamido-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-acetamido-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide is CC(=O)Nc1cccc(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)c1.
What is the InChIKey of 3-acetamido-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is LHACUSJWNSKJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O2S/c1-11(23)20-15-4-2-3-13(9-15)17(24)22-18-21-16(10-25-18)12-5-7-14(19)8-6-12/h2-10H,1H3,(H,20,23)(H,21,22,24).
What are the key properties of 3-acetamido-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide?
3-acetamido-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 416.30 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 41190009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).