2-[1-(2-methoxyacetyl)-4-methylpiperidin-4-yl]-1,3-thiazole-5-carboxamide

C13H19N3O3S — CID 110100878

IUPAC2-[1-(2-methoxyacetyl)-4-methylpiperidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESCOCC(=O)N1CCC(C)(c2ncc(C(N)=O)s2)CC1
InChIInChI=1S/C13H19N3O3S/c1-13(12-15-7-9(20-12)11(14)18)3-5-16(6-4-13)10(17)8-19-2/h7H,3-6,8H2,1-2H3,(H2,14,18)
InChIKeyOFIPEAUCEKXACV-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.77
Rot. Bonds4

About 2-[1-(2-methoxyacetyl)-4-methylpiperidin-4-yl]-1,3-thiazole-5-carboxamide

2-[1-(2-methoxyacetyl)-4-methylpiperidin-4-yl]-1,3-thiazole-5-carboxamide (PubChem CID 110100878) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[1-(2-methoxyacetyl)-4-methylpiperidin-4-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[1-(2-methoxyacetyl)-4-methylpiperidin-4-yl]-1,3-thiazole-5-carboxamide
PubChem CID110100878
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name2-[1-(2-methoxyacetyl)-4-methylpiperidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESCOCC(=O)N1CCC(C)(c2ncc(C(N)=O)s2)CC1
InChIInChI=1S/C13H19N3O3S/c1-13(12-15-7-9(20-12)11(14)18)3-5-16(6-4-13)10(17)8-19-2/h7H,3-6,8H2,1-2H3,(H2,14,18)
InChIKeyOFIPEAUCEKXACV-UHFFFAOYSA-N
XLogP0.77
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methyl-1-pyrazin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 110100872
2-(2-methoxyphenyl)-1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 110114408
1-(2-methoxyacetyl)-4-methylpiperidine-4-carbothioamide
CID 107160961
ethane;methyl 2-(1-methylcyclopentyl)-1,3-thiazole-5-carboxylate
CID 144668787
2-[(3S)-1-(dimethylsulfamoyl)-3-methylpiperidin-3-yl]-1,3-thiazole-5-carboxamide
CID 124976249
(1-aminocyclopentyl)-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110114476
1-(2-methoxyacetyl)-4-methylpiperidine-4-carboxylic acid
CID 63123330
1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110114440
1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 110114410
1-[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110114553
1-[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 110114570
2-methoxy-1-[3-(thiophene-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 97370699

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyacetyl)-4-methylpiperidin-4-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[1-(2-methoxyacetyl)-4-methylpiperidin-4-yl]-1,3-thiazole-5-carboxamide (CID 110100878) is 2-[1-(2-methoxyacetyl)-4-methylpiperidin-4-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[1-(2-methoxyacetyl)-4-methylpiperidin-4-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[1-(2-methoxyacetyl)-4-methylpiperidin-4-yl]-1,3-thiazole-5-carboxamide is COCC(=O)N1CCC(C)(c2ncc(C(N)=O)s2)CC1.
What is the InChIKey of 2-[1-(2-methoxyacetyl)-4-methylpiperidin-4-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is OFIPEAUCEKXACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-13(12-15-7-9(20-12)11(14)18)3-5-16(6-4-13)10(17)8-19-2/h7H,3-6,8H2,1-2H3,(H2,14,18).
What are the key properties of 2-[1-(2-methoxyacetyl)-4-methylpiperidin-4-yl]-1,3-thiazole-5-carboxamide?
2-[1-(2-methoxyacetyl)-4-methylpiperidin-4-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyacetyl)-4-methylpiperidin-4-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110100878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).