N-[4-[3-(4-bromoanilino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide

C19H16BrN3O2S — CID 42208842

IUPACN-[4-[3-(4-bromoanilino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(CCc1csc(NC(=O)c2ccccc2)n1)Nc1ccc(Br)cc1
InChIInChI=1S/C19H16BrN3O2S/c20-14-6-8-15(9-7-14)21-17(24)11-10-16-12-26-19(22-16)23-18(25)13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,21,24)(H,22,23,25)
InChIKeyWVZQOBLBFGRIFS-UHFFFAOYSA-N
MW430.33 g/mol
LogP4.73
Rot. Bonds6

About N-[4-[3-(4-bromoanilino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide

N-[4-[3-(4-bromoanilino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 42208842) has the molecular formula C19H16BrN3O2S and a molecular weight of 430.33 g/mol. Its IUPAC name is N-[4-[3-(4-bromoanilino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[3-(4-bromoanilino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide
PubChem CID42208842
Molecular FormulaC19H16BrN3O2S
Molecular Weight430.33 g/mol
Exact Mass429.01
IUPAC NameN-[4-[3-(4-bromoanilino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(CCc1csc(NC(=O)c2ccccc2)n1)Nc1ccc(Br)cc1
InChIInChI=1S/C19H16BrN3O2S/c20-14-6-8-15(9-7-14)21-17(24)11-10-16-12-26-19(22-16)23-18(25)13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,21,24)(H,22,23,25)
InChIKeyWVZQOBLBFGRIFS-UHFFFAOYSA-N
XLogP4.73
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.33
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-bromoanilino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-[3-(4-bromoanilino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide (CID 42208842) is N-[4-[3-(4-bromoanilino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-[3-(4-bromoanilino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-[3-(4-bromoanilino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide is O=C(CCc1csc(NC(=O)c2ccccc2)n1)Nc1ccc(Br)cc1.
What is the InChIKey of N-[4-[3-(4-bromoanilino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is WVZQOBLBFGRIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O2S/c20-14-6-8-15(9-7-14)21-17(24)11-10-16-12-26-19(22-16)23-18(25)13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,21,24)(H,22,23,25).
What are the key properties of N-[4-[3-(4-bromoanilino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide?
N-[4-[3-(4-bromoanilino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 430.33 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-bromoanilino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 42208842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).