N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-1-butanoylpiperidine-3-carboxamide

C19H22BrN3O2S — CID 78904413

IUPACN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-1-butanoylpiperidine-3-carboxamide
SMILESCCCC(=O)N1CCCC(C(=O)Nc2nc(-c3cccc(Br)c3)cs2)C1
InChIInChI=1S/C19H22BrN3O2S/c1-2-5-17(24)23-9-4-7-14(11-23)18(25)22-19-21-16(12-26-19)13-6-3-8-15(20)10-13/h3,6,8,10,12,14H,2,4-5,7,9,11H2,1H3,(H,21,22,25)
InChIKeyIENPVFCATPKYAW-UHFFFAOYSA-N
MW436.38 g/mol
LogP4.55
Rot. Bonds5

About N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-1-butanoylpiperidine-3-carboxamide

N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-1-butanoylpiperidine-3-carboxamide (PubChem CID 78904413) has the molecular formula C19H22BrN3O2S and a molecular weight of 436.38 g/mol. Its IUPAC name is N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-1-butanoylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-1-butanoylpiperidine-3-carboxamide
PubChem CID78904413
Molecular FormulaC19H22BrN3O2S
Molecular Weight436.38 g/mol
Exact Mass435.06
IUPAC NameN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-1-butanoylpiperidine-3-carboxamide
SMILESCCCC(=O)N1CCCC(C(=O)Nc2nc(-c3cccc(Br)c3)cs2)C1
InChIInChI=1S/C19H22BrN3O2S/c1-2-5-17(24)23-9-4-7-14(11-23)18(25)22-19-21-16(12-26-19)13-6-3-8-15(20)10-13/h3,6,8,10,12,14H,2,4-5,7,9,11H2,1H3,(H,21,22,25)
InChIKeyIENPVFCATPKYAW-UHFFFAOYSA-N
XLogP4.55
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.38
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-propanoylpiperidine-3-carboxamide
CID 60529706
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 55630584
N-[2-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopentanecarboxamide
CID 86980649
(3R)-1-propanoyl-N-(4-propyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 99618269
N-(3-bromophenyl)-1-propanoylpiperidine-3-carboxamide
CID 47255103
2-amino-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pentanamide;hydrochloride
CID 119264520
(3S)-1-butanoyl-N-thiophen-3-ylpiperidine-3-carboxamide
CID 99564667
1-butanoyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 60526922
N-(5-acetyl-1,3-thiazol-2-yl)-1-butanoylpiperidine-3-carboxamide
CID 119039024
N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55556644
N-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 167986693
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(methylamino)acetamide
CID 166686948

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-1-butanoylpiperidine-3-carboxamide?
The IUPAC name of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-1-butanoylpiperidine-3-carboxamide (CID 78904413) is N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-1-butanoylpiperidine-3-carboxamide.
What is the SMILES notation for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-1-butanoylpiperidine-3-carboxamide?
The canonical SMILES for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-1-butanoylpiperidine-3-carboxamide is CCCC(=O)N1CCCC(C(=O)Nc2nc(-c3cccc(Br)c3)cs2)C1.
What is the InChIKey of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-1-butanoylpiperidine-3-carboxamide?
The InChIKey is IENPVFCATPKYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O2S/c1-2-5-17(24)23-9-4-7-14(11-23)18(25)22-19-21-16(12-26-19)13-6-3-8-15(20)10-13/h3,6,8,10,12,14H,2,4-5,7,9,11H2,1H3,(H,21,22,25).
What are the key properties of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-1-butanoylpiperidine-3-carboxamide?
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-1-butanoylpiperidine-3-carboxamide has a molecular weight of 436.38 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-1-butanoylpiperidine-3-carboxamide is sourced from PubChem (CID 78904413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).