3-[(2R)-4-formyl-1-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-yl]-N-methylbenzamide

C18H20N4O3S — CID 125010117

IUPAC3-[(2R)-4-formyl-1-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc([C@@H]2CN(C=O)CCN2C(=O)c2scnc2C)c1
InChIInChI=1S/C18H20N4O3S/c1-12-16(26-10-20-12)18(25)22-7-6-21(11-23)9-15(22)13-4-3-5-14(8-13)17(24)19-2/h3-5,8,10-11,15H,6-7,9H2,1-2H3,(H,19,24)/t15-/m0/s1
InChIKeyVHCCUOQKYPVUPG-HNNXBMFYSA-N
MW372.45 g/mol
LogP1.47
Rot. Bonds4

About 3-[(2R)-4-formyl-1-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-yl]-N-methylbenzamide

3-[(2R)-4-formyl-1-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-yl]-N-methylbenzamide (PubChem CID 125010117) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 3-[(2R)-4-formyl-1-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[(2R)-4-formyl-1-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-yl]-N-methylbenzamide
PubChem CID125010117
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name3-[(2R)-4-formyl-1-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc([C@@H]2CN(C=O)CCN2C(=O)c2scnc2C)c1
InChIInChI=1S/C18H20N4O3S/c1-12-16(26-10-20-12)18(25)22-7-6-21(11-23)9-15(22)13-4-3-5-14(8-13)17(24)19-2/h3-5,8,10-11,15H,6-7,9H2,1-2H3,(H,19,24)/t15-/m0/s1
InChIKeyVHCCUOQKYPVUPG-HNNXBMFYSA-N
XLogP1.47
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-[3-(methylcarbamoyl)phenyl]-4-(4-methylthiophene-2-carbonyl)piperazine-1-carboxylate
CID 110090530
3-[(2R)-4-acetyl-1-(cyclobutanecarbonyl)piperazin-2-yl]-N-methylbenzamide
CID 124961666
N-methyl-3-[(2R)-1-methyl-4-(pyridine-2-carbonyl)piperazin-2-yl]benzamide
CID 124942684
3-[(2R)-4-acetyl-1-(2,2-diphenylacetyl)piperazin-2-yl]-N-methylbenzamide
CID 129454780
N-methyl-3-(1-methyl-4-pyrimidin-2-ylpiperazin-2-yl)benzamide
CID 110258484
N-methyl-6-[(2R)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]pyridine-3-carboxamide
CID 95847922
tert-butyl (3R)-3-[3-(methylcarbamoyl)phenyl]-4-(thiophene-3-carbonyl)piperazine-1-carboxylate
CID 124989383
3-[4-(2-hydroxyethyl)-1-methylpiperazin-2-yl]-N-methylbenzamide
CID 110258018
3-[(2R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-2-yl]-N-methylbenzamide
CID 124998546
3-[(2R)-4-acetyl-1-[2-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carbonyl]piperazin-2-yl]-N-methylbenzamide
CID 125010756
3-[4-acetyl-1-[2-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carbonyl]piperazin-2-yl]-N-methylbenzamide
CID 110151897
3-[(2R)-1-acetyl-4-(oxan-4-yl)piperazin-2-yl]-N-methylbenzamide
CID 124974170

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-4-formyl-1-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-yl]-N-methylbenzamide?
The IUPAC name of 3-[(2R)-4-formyl-1-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-yl]-N-methylbenzamide (CID 125010117) is 3-[(2R)-4-formyl-1-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-yl]-N-methylbenzamide.
What is the SMILES notation for 3-[(2R)-4-formyl-1-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-yl]-N-methylbenzamide?
The canonical SMILES for 3-[(2R)-4-formyl-1-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-yl]-N-methylbenzamide is CNC(=O)c1cccc([C@@H]2CN(C=O)CCN2C(=O)c2scnc2C)c1.
What is the InChIKey of 3-[(2R)-4-formyl-1-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-yl]-N-methylbenzamide?
The InChIKey is VHCCUOQKYPVUPG-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-12-16(26-10-20-12)18(25)22-7-6-21(11-23)9-15(22)13-4-3-5-14(8-13)17(24)19-2/h3-5,8,10-11,15H,6-7,9H2,1-2H3,(H,19,24)/t15-/m0/s1.
What are the key properties of 3-[(2R)-4-formyl-1-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-yl]-N-methylbenzamide?
3-[(2R)-4-formyl-1-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-yl]-N-methylbenzamide has a molecular weight of 372.45 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-4-formyl-1-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-yl]-N-methylbenzamide is sourced from PubChem (CID 125010117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).