5-bromo-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1,3-thiazole-2-carboxamide

C17H16BrN3O3S — CID 86807048

IUPAC5-bromo-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1,3-thiazole-2-carboxamide
SMILESCCC1(c2ccc(NC(=O)c3ncc(Br)s3)cc2)CCC(=O)NC1=O
InChIInChI=1S/C17H16BrN3O3S/c1-2-17(8-7-13(22)21-16(17)24)10-3-5-11(6-4-10)20-14(23)15-19-9-12(18)25-15/h3-6,9H,2,7-8H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyMHBQCAUHSFZCEC-UHFFFAOYSA-N
MW422.30 g/mol
LogP3.24
Rot. Bonds4

About 5-bromo-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1,3-thiazole-2-carboxamide

5-bromo-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1,3-thiazole-2-carboxamide (PubChem CID 86807048) has the molecular formula C17H16BrN3O3S and a molecular weight of 422.30 g/mol. Its IUPAC name is 5-bromo-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1,3-thiazole-2-carboxamide
PubChem CID86807048
Molecular FormulaC17H16BrN3O3S
Molecular Weight422.30 g/mol
Exact Mass421.01
IUPAC Name5-bromo-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1,3-thiazole-2-carboxamide
SMILESCCC1(c2ccc(NC(=O)c3ncc(Br)s3)cc2)CCC(=O)NC1=O
InChIInChI=1S/C17H16BrN3O3S/c1-2-17(8-7-13(22)21-16(17)24)10-3-5-11(6-4-10)20-14(23)15-19-9-12(18)25-15/h3-6,9H,2,7-8H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyMHBQCAUHSFZCEC-UHFFFAOYSA-N
XLogP3.24
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.30
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]benzamide
CID 41025293
N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-2,6-dimethoxybenzamide
CID 40946988
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 60570520
N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-3,4-dimethylbenzamide
CID 94533339
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167747058
1-(3,4-dichlorophenyl)-3-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]urea
CID 4049256
iodomethyl N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]carbamate
CID 146489185
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-3-propan-2-yloxypropanamide
CID 60570514
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-4-imidazol-1-ylbenzamide
CID 60570571
3-(5-chlorothiophen-2-yl)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]propanamide
CID 60570697
5-(1,3-benzothiazol-2-yl)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]furan-2-carboxamide
CID 60570843
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 60576721

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1,3-thiazole-2-carboxamide (CID 86807048) is 5-bromo-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1,3-thiazole-2-carboxamide is CCC1(c2ccc(NC(=O)c3ncc(Br)s3)cc2)CCC(=O)NC1=O.
What is the InChIKey of 5-bromo-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1,3-thiazole-2-carboxamide?
The InChIKey is MHBQCAUHSFZCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O3S/c1-2-17(8-7-13(22)21-16(17)24)10-3-5-11(6-4-10)20-14(23)15-19-9-12(18)25-15/h3-6,9H,2,7-8H2,1H3,(H,20,23)(H,21,22,24).
What are the key properties of 5-bromo-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1,3-thiazole-2-carboxamide?
5-bromo-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1,3-thiazole-2-carboxamide has a molecular weight of 422.30 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 86807048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).