1-(2-methyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide

C11H15N3O2S — CID 110474094

IUPAC1-(2-methyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
SMILESCc1nc(C(=O)N2CCCC(C(N)=O)C2)cs1
InChIInChI=1S/C11H15N3O2S/c1-7-13-9(6-17-7)11(16)14-4-2-3-8(5-14)10(12)15/h6,8H,2-5H2,1H3,(H2,12,15)
InChIKeyHCUBQGHAJHWGSB-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.79
Rot. Bonds2

About 1-(2-methyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide

1-(2-methyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide (PubChem CID 110474094) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 1-(2-methyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
PubChem CID110474094
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name1-(2-methyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
SMILESCc1nc(C(=O)N2CCCC(C(N)=O)C2)cs1
InChIInChI=1S/C11H15N3O2S/c1-7-13-9(6-17-7)11(16)14-4-2-3-8(5-14)10(12)15/h6,8H,2-5H2,1H3,(H2,12,15)
InChIKeyHCUBQGHAJHWGSB-UHFFFAOYSA-N
XLogP0.79
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-aminopiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 129371396
(2-methyl-1,3-thiazol-4-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 110465363
1-[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide
CID 60600926
(3-methylazetidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 126992843
(4-aminopiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 65199009
[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 95737221
[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 95737222
[(3S)-3-(4-methoxyphenyl)azepan-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 99876778
[3-(bromomethyl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 80667838
(3R)-1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid
CID 99638878
(2-methyl-1,3-thiazol-4-yl)-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 95132649
(3R)-1-(2-cyclopropyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid
CID 124576560

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-methyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide (CID 110474094) is 1-(2-methyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-methyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-methyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide is Cc1nc(C(=O)N2CCCC(C(N)=O)C2)cs1.
What is the InChIKey of 1-(2-methyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide?
The InChIKey is HCUBQGHAJHWGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-7-13-9(6-17-7)11(16)14-4-2-3-8(5-14)10(12)15/h6,8H,2-5H2,1H3,(H2,12,15).
What are the key properties of 1-(2-methyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide?
1-(2-methyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide has a molecular weight of 253.33 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 110474094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).