3-bromo-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide

C21H20BrN3OS — CID 1195316

IUPAC3-bromo-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2csc(N3CCCCC3)n2)c1)c1cccc(Br)c1
InChIInChI=1S/C21H20BrN3OS/c22-17-8-4-7-16(12-17)20(26)23-18-9-5-6-15(13-18)19-14-27-21(24-19)25-10-2-1-3-11-25/h4-9,12-14H,1-3,10-11H2,(H,23,26)
InChIKeyKZFROPVQYKCSMN-UHFFFAOYSA-N
MW442.38 g/mol
LogP5.82
Rot. Bonds4

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

3-bromo-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide (PubChem CID 1195316) has the molecular formula C21H20BrN3OS and a molecular weight of 442.38 g/mol. Its IUPAC name is 3-bromo-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide
PubChem CID1195316
Molecular FormulaC21H20BrN3OS
Molecular Weight442.38 g/mol
Exact Mass441.05
IUPAC Name3-bromo-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2csc(N3CCCCC3)n2)c1)c1cccc(Br)c1
InChIInChI=1S/C21H20BrN3OS/c22-17-8-4-7-16(12-17)20(26)23-18-9-5-6-15(13-18)19-14-27-21(24-19)25-10-2-1-3-11-25/h4-9,12-14H,1-3,10-11H2,(H,23,26)
InChIKeyKZFROPVQYKCSMN-UHFFFAOYSA-N
XLogP5.82
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.38
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-methyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
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CID 4267628
(2R)-2-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 7265295
(2S)-2-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 7265294
2-(4-chlorophenoxy)-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide?
The IUPAC name of 3-bromo-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide (CID 1195316) is 3-bromo-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide?
The canonical SMILES for 3-bromo-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide is O=C(Nc1cccc(-c2csc(N3CCCCC3)n2)c1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide?
The InChIKey is KZFROPVQYKCSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN3OS/c22-17-8-4-7-16(12-17)20(26)23-18-9-5-6-15(13-18)19-14-27-21(24-19)25-10-2-1-3-11-25/h4-9,12-14H,1-3,10-11H2,(H,23,26).
What are the key properties of 3-bromo-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide?
3-bromo-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide has a molecular weight of 442.38 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 1195316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).