2-[[1-(ethylcarbamoyl)piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide

C13H20N4O2S — CID 175939257

IUPAC2-[[1-(ethylcarbamoyl)piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCCNC(=O)N1CCC(Cc2ncc(C(N)=O)s2)CC1
InChIInChI=1S/C13H20N4O2S/c1-2-15-13(19)17-5-3-9(4-6-17)7-11-16-8-10(20-11)12(14)18/h8-9H,2-7H2,1H3,(H2,14,18)(H,15,19)
InChIKeyLVPJBORKAGCVDM-UHFFFAOYSA-N
MW296.40 g/mol
LogP1.23
Rot. Bonds4

About 2-[[1-(ethylcarbamoyl)piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide

2-[[1-(ethylcarbamoyl)piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 175939257) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-[[1-(ethylcarbamoyl)piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[1-(ethylcarbamoyl)piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID175939257
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name2-[[1-(ethylcarbamoyl)piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCCNC(=O)N1CCC(Cc2ncc(C(N)=O)s2)CC1
InChIInChI=1S/C13H20N4O2S/c1-2-15-13(19)17-5-3-9(4-6-17)7-11-16-8-10(20-11)12(14)18/h8-9H,2-7H2,1H3,(H2,14,18)(H,15,19)
InChIKeyLVPJBORKAGCVDM-UHFFFAOYSA-N
XLogP1.23
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-N-methylpiperidine-1,3-dicarboxamide
CID 71867675
N-methyl-1-(1,3-thiazole-5-carbonyl)piperidine-3-carboxamide
CID 73439408
5-[3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 110106852
2-[1-(Dimethylsulfamoyl)-4-methylpiperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 118740138
[2-(Ethylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 97236851
N-(1-(1-(L-alanyl)piperidin-4-yl)ethyl)thiazole-5-carboxamide
CID 132227731
N-(4,4-difluoropiperidin-3-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 137999935
4-Amino-1-[2-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide
CID 166369167
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide
CID 71868470
2-cyclopropyl-N-[1-(dimethylamino)-4-methylpentan-2-yl]-1,3-thiazole-5-carboxamide
CID 72145530
2-[3-(Diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide
CID 117088482
2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-propyl-1,3-thiazole-5-carboxamide
CID 117090218

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(ethylcarbamoyl)piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[1-(ethylcarbamoyl)piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide (CID 175939257) is 2-[[1-(ethylcarbamoyl)piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[[1-(ethylcarbamoyl)piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[1-(ethylcarbamoyl)piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide is CCNC(=O)N1CCC(Cc2ncc(C(N)=O)s2)CC1.
What is the InChIKey of 2-[[1-(ethylcarbamoyl)piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is LVPJBORKAGCVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-2-15-13(19)17-5-3-9(4-6-17)7-11-16-8-10(20-11)12(14)18/h8-9H,2-7H2,1H3,(H2,14,18)(H,15,19).
What are the key properties of 2-[[1-(ethylcarbamoyl)piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide?
2-[[1-(ethylcarbamoyl)piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 296.40 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(ethylcarbamoyl)piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 175939257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).