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

C17H20BrN3OS — CID 119340374

IUPACN-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]piperidine-2-carboxamide
SMILESCC(NC(=O)C1CCCCN1)c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C17H20BrN3OS/c1-11(20-16(22)14-4-2-3-9-19-14)17-21-15(10-23-17)12-5-7-13(18)8-6-12/h5-8,10-11,14,19H,2-4,9H2,1H3,(H,20,22)
InChIKeyQEQKNWNWUHEUBG-UHFFFAOYSA-N
MW394.34 g/mol
LogP3.89
Rot. Bonds4

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

N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]piperidine-2-carboxamide (PubChem CID 119340374) has the molecular formula C17H20BrN3OS and a molecular weight of 394.34 g/mol. Its IUPAC name is N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]piperidine-2-carboxamide
PubChem CID119340374
Molecular FormulaC17H20BrN3OS
Molecular Weight394.34 g/mol
Exact Mass393.05
IUPAC NameN-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]piperidine-2-carboxamide
SMILESCC(NC(=O)C1CCCCN1)c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C17H20BrN3OS/c1-11(20-16(22)14-4-2-3-9-19-14)17-21-15(10-23-17)12-5-7-13(18)8-6-12/h5-8,10-11,14,19H,2-4,9H2,1H3,(H,20,22)
InChIKeyQEQKNWNWUHEUBG-UHFFFAOYSA-N
XLogP3.89
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.34
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 119320857
(2R)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 113267552
2-[1-[[(2S)-piperidine-2-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 104914206
(2R)-N-[1-(4-bromophenyl)ethyl]piperidine-2-carboxamide
CID 103809894
(2R)-N-[1-(4-bromophenyl)ethyl]pyrrolidine-2-carboxamide
CID 103795927
N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119812966
N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119778931
(2R)-N-[1-(1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 103814463
(2R)-2-amino-N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]propanamide;hydrochloride
CID 119340387
N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 119270252
N-[1-(1,3-thiazol-2-yl)ethyl]azepane-2-carboxamide
CID 64570760
(2S)-N-[(1S)-1-(2-bromophenyl)ethyl]piperidine-2-carboxamide
CID 104914385

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]piperidine-2-carboxamide?
The IUPAC name of N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]piperidine-2-carboxamide (CID 119340374) is N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]piperidine-2-carboxamide?
The canonical SMILES for N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]piperidine-2-carboxamide is CC(NC(=O)C1CCCCN1)c1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]piperidine-2-carboxamide?
The InChIKey is QEQKNWNWUHEUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3OS/c1-11(20-16(22)14-4-2-3-9-19-14)17-21-15(10-23-17)12-5-7-13(18)8-6-12/h5-8,10-11,14,19H,2-4,9H2,1H3,(H,20,22).
What are the key properties of N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]piperidine-2-carboxamide?
N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]piperidine-2-carboxamide has a molecular weight of 394.34 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 119340374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).