3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide

C11H17N3O2S — CID 103950587

IUPAC3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCC1(C(=O)NCc2csc(=O)[nH]2)CCCNC1
InChIInChI=1S/C11H17N3O2S/c1-11(3-2-4-12-7-11)9(15)13-5-8-6-17-10(16)14-8/h6,12H,2-5,7H2,1H3,(H,13,15)(H,14,16)
InChIKeyRSZSLVODBTZYAR-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.44
Rot. Bonds3

About 3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide

3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide (PubChem CID 103950587) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
PubChem CID103950587
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCC1(C(=O)NCc2csc(=O)[nH]2)CCCNC1
InChIInChI=1S/C11H17N3O2S/c1-11(3-2-4-12-7-11)9(15)13-5-8-6-17-10(16)14-8/h6,12H,2-5,7H2,1H3,(H,13,15)(H,14,16)
InChIKeyRSZSLVODBTZYAR-UHFFFAOYSA-N
XLogP0.44
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide (CID 103950587) is 3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide is CC1(C(=O)NCc2csc(=O)[nH]2)CCCNC1.
What is the InChIKey of 3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide?
The InChIKey is RSZSLVODBTZYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-11(3-2-4-12-7-11)9(15)13-5-8-6-17-10(16)14-8/h6,12H,2-5,7H2,1H3,(H,13,15)(H,14,16).
What are the key properties of 3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide?
3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 103950587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).