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

C13H21BrN4OS — CID 171529916

IUPACN-(4-bromo-1,3-thiazol-2-yl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
SMILESCN(C)CCN1CCCC(C(=O)Nc2nc(Br)cs2)C1
InChIInChI=1S/C13H21BrN4OS/c1-17(2)6-7-18-5-3-4-10(8-18)12(19)16-13-15-11(14)9-20-13/h9-10H,3-8H2,1-2H3,(H,15,16,19)
InChIKeyYNSNCDIJOUVBLP-UHFFFAOYSA-N
MW361.31 g/mol
LogP2.12
Rot. Bonds5

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

N-(4-bromo-1,3-thiazol-2-yl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide (PubChem CID 171529916) has the molecular formula C13H21BrN4OS and a molecular weight of 361.31 g/mol. Its IUPAC name is N-(4-bromo-1,3-thiazol-2-yl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-1,3-thiazol-2-yl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
PubChem CID171529916
Molecular FormulaC13H21BrN4OS
Molecular Weight361.31 g/mol
Exact Mass360.06
IUPAC NameN-(4-bromo-1,3-thiazol-2-yl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
SMILESCN(C)CCN1CCCC(C(=O)Nc2nc(Br)cs2)C1
InChIInChI=1S/C13H21BrN4OS/c1-17(2)6-7-18-5-3-4-10(8-18)12(19)16-13-15-11(14)9-20-13/h9-10H,3-8H2,1-2H3,(H,15,16,19)
InChIKeyYNSNCDIJOUVBLP-UHFFFAOYSA-N
XLogP2.12
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 168899979
1-[2-(dimethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 177079750
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-[2-(dimethylamino)ethyl]azocane-3-carboxamide
CID 171529930
N-(4-benzyl-1,3-benzothiazol-2-yl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 177079616
N-(2-aminoethyl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 63253004
(3R)-1-propanoyl-N-(4-propyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 99618269
1-(3-methylbut-2-enoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 51090788
1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 47049309
ethane;N-(4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 143608697
N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide
CID 51298742
4-bromo-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-2-amine
CID 79400249
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-1-butanoylpiperidine-3-carboxamide
CID 78904413

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-1,3-thiazol-2-yl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide?
The IUPAC name of N-(4-bromo-1,3-thiazol-2-yl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide (CID 171529916) is N-(4-bromo-1,3-thiazol-2-yl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-1,3-thiazol-2-yl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide?
The canonical SMILES for N-(4-bromo-1,3-thiazol-2-yl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide is CN(C)CCN1CCCC(C(=O)Nc2nc(Br)cs2)C1.
What is the InChIKey of N-(4-bromo-1,3-thiazol-2-yl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide?
The InChIKey is YNSNCDIJOUVBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4OS/c1-17(2)6-7-18-5-3-4-10(8-18)12(19)16-13-15-11(14)9-20-13/h9-10H,3-8H2,1-2H3,(H,15,16,19).
What are the key properties of N-(4-bromo-1,3-thiazol-2-yl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide?
N-(4-bromo-1,3-thiazol-2-yl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide has a molecular weight of 361.31 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-1,3-thiazol-2-yl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 171529916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).