N-[[3-(methylcarbamoyl)phenyl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide

C19H25N5O2S — CID 55809558

IUPACN-[[3-(methylcarbamoyl)phenyl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
SMILESCNC(=O)c1cccc(CNC(=O)N2CCN(Cc3csc(C)n3)CC2)c1
InChIInChI=1S/C19H25N5O2S/c1-14-22-17(13-27-14)12-23-6-8-24(9-7-23)19(26)21-11-15-4-3-5-16(10-15)18(25)20-2/h3-5,10,13H,6-9,11-12H2,1-2H3,(H,20,25)(H,21,26)
InChIKeyOQDOMUHZTKKAKO-UHFFFAOYSA-N
MW387.51 g/mol
LogP1.84
Rot. Bonds5

About N-[[3-(methylcarbamoyl)phenyl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide

N-[[3-(methylcarbamoyl)phenyl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide (PubChem CID 55809558) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[[3-(methylcarbamoyl)phenyl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[[3-(methylcarbamoyl)phenyl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
PubChem CID55809558
Molecular FormulaC19H25N5O2S
Molecular Weight387.51 g/mol
Exact Mass387.17
IUPAC NameN-[[3-(methylcarbamoyl)phenyl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
SMILESCNC(=O)c1cccc(CNC(=O)N2CCN(Cc3csc(C)n3)CC2)c1
InChIInChI=1S/C19H25N5O2S/c1-14-22-17(13-27-14)12-23-6-8-24(9-7-23)19(26)21-11-15-4-3-5-16(10-15)18(25)20-2/h3-5,10,13H,6-9,11-12H2,1-2H3,(H,20,25)(H,21,26)
InChIKeyOQDOMUHZTKKAKO-UHFFFAOYSA-N
XLogP1.84
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[3-(methylcarbamoyl)phenyl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide with MolForge

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Related Compounds

N-[3-(cyclopropylcarbamoyl)phenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 55698997
(3-methylphenyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 38470610
N-(2,2-dimethylpropyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 110747501
N-[[4-(methylcarbamoyl)phenyl]methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 134006341
3-(acetamidomethyl)-N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 166227366
3-[[[C-(4-benzylpiperazin-1-yl)-N-methylcarbonimidoyl]amino]methyl]-N-methylbenzamide;hydroiodide
CID 110959660
1-(furan-2-yl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethane-1,2-dione
CID 77081258
(4R)-4-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]azepane-1-carboxamide
CID 95041605
4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[3-(2-phenylethynyl)phenyl]piperazine-1-carboxamide
CID 112825394
N-(2-methylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carboxamide
CID 154837725
N-cyclopentyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 38204358
(3,4-dimethylphenyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 51308012

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methylcarbamoyl)phenyl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-[[3-(methylcarbamoyl)phenyl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide (CID 55809558) is N-[[3-(methylcarbamoyl)phenyl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[[3-(methylcarbamoyl)phenyl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-[[3-(methylcarbamoyl)phenyl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide is CNC(=O)c1cccc(CNC(=O)N2CCN(Cc3csc(C)n3)CC2)c1.
What is the InChIKey of N-[[3-(methylcarbamoyl)phenyl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide?
The InChIKey is OQDOMUHZTKKAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2S/c1-14-22-17(13-27-14)12-23-6-8-24(9-7-23)19(26)21-11-15-4-3-5-16(10-15)18(25)20-2/h3-5,10,13H,6-9,11-12H2,1-2H3,(H,20,25)(H,21,26).
What are the key properties of N-[[3-(methylcarbamoyl)phenyl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide?
N-[[3-(methylcarbamoyl)phenyl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methylcarbamoyl)phenyl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 55809558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).