N-(1-acetylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide

C12H17N3O2S — CID 47035706

IUPACN-(1-acetylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCC(=O)N1CCC(NC(=O)c2scnc2C)CC1
InChIInChI=1S/C12H17N3O2S/c1-8-11(18-7-13-8)12(17)14-10-3-5-15(6-4-10)9(2)16/h7,10H,3-6H2,1-2H3,(H,14,17)
InChIKeyGGVAQDKSHWMLDI-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.19
Rot. Bonds2

About N-(1-acetylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide

N-(1-acetylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 47035706) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID47035706
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN-(1-acetylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCC(=O)N1CCC(NC(=O)c2scnc2C)CC1
InChIInChI=1S/C12H17N3O2S/c1-8-11(18-7-13-8)12(17)14-10-3-5-15(6-4-10)9(2)16/h7,10H,3-6H2,1-2H3,(H,14,17)
InChIKeyGGVAQDKSHWMLDI-UHFFFAOYSA-N
XLogP1.19
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 71667381
(4-Methyl-1,3-thiazol-5-yl)-piperidin-1-ylmethanone
CID 45823033
4-methyl-N-(piperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 43167642
N,N-dimethyl-2-[(4-methyl-1,3-thiazol-5-yl)formamido]acetamide
CID 47209159
1-(4-Methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperidine-4-carboxamide
CID 45819410
Azepan-1-yl-(4-methyl-1,3-thiazol-5-yl)methanone
CID 45823036
4-methyl-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 45823105
4-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-1,3-thiazole-5-carboxamide
CID 45823337
4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 45823479
4-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47035721
4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)-1,3-thiazole-5-carboxamide
CID 47035815
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 47208452

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 47035706) is N-(1-acetylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide is CC(=O)N1CCC(NC(=O)c2scnc2C)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is GGVAQDKSHWMLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-8-11(18-7-13-8)12(17)14-10-3-5-15(6-4-10)9(2)16/h7,10H,3-6H2,1-2H3,(H,14,17).
What are the key properties of N-(1-acetylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(1-acetylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47035706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).