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

C20H16BrN3O2S — CID 41190099

IUPACN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C20H16BrN3O2S/c21-15-8-6-13(7-9-15)17-12-27-20(22-17)23-19(26)14-3-1-4-16(11-14)24-10-2-5-18(24)25/h1,3-4,6-9,11-12H,2,5,10H2,(H,22,23,26)
InChIKeyPEACYMOZAJAEOP-UHFFFAOYSA-N
MW442.34 g/mol
LogP4.95
Rot. Bonds4

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

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 41190099) has the molecular formula C20H16BrN3O2S and a molecular weight of 442.34 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID41190099
Molecular FormulaC20H16BrN3O2S
Molecular Weight442.34 g/mol
Exact Mass441.01
IUPAC NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C20H16BrN3O2S/c21-15-8-6-13(7-9-15)17-12-27-20(22-17)23-19(26)14-3-1-4-16(11-14)24-10-2-5-18(24)25/h1,3-4,6-9,11-12H,2,5,10H2,(H,22,23,26)
InChIKeyPEACYMOZAJAEOP-UHFFFAOYSA-N
XLogP4.95
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.34
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-oxopyrrolidin-1-yl)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]benzamide
CID 36537470
3-acetamido-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide
CID 41190009
N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 60581699
N-[1-(4-bromophenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 55395402
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 26694871
N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 42929670
2-chloro-5-(2-oxopyrrolidin-1-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 75469990
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 55434173
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-bromobenzamide
CID 28861346
4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 988802
N-(2-bromo-4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 27826911
3-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide
CID 51251631

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 41190099) is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-oxopyrrolidin-1-yl)benzamide is O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is PEACYMOZAJAEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN3O2S/c21-15-8-6-13(7-9-15)17-12-27-20(22-17)23-19(26)14-3-1-4-16(11-14)24-10-2-5-18(24)25/h1,3-4,6-9,11-12H,2,5,10H2,(H,22,23,26).
What are the key properties of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 442.34 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 41190099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).