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

C14H21N3OS — CID 49448901

IUPAC4-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESC=C(C)CN1CCC(NC(=O)c2scnc2C)CC1
InChIInChI=1S/C14H21N3OS/c1-10(2)8-17-6-4-12(5-7-17)16-14(18)13-11(3)15-9-19-13/h9,12H,1,4-8H2,2-3H3,(H,16,18)
InChIKeyZOABRQBNDUXKFJ-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.22
Rot. Bonds4

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

4-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide (PubChem CID 49448901) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 4-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
PubChem CID49448901
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name4-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESC=C(C)CN1CCC(NC(=O)c2scnc2C)CC1
InChIInChI=1S/C14H21N3OS/c1-10(2)8-17-6-4-12(5-7-17)16-14(18)13-11(3)15-9-19-13/h9,12H,1,4-8H2,2-3H3,(H,16,18)
InChIKeyZOABRQBNDUXKFJ-UHFFFAOYSA-N
XLogP2.22
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide (CID 49448901) is 4-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide is C=C(C)CN1CCC(NC(=O)c2scnc2C)CC1.
What is the InChIKey of 4-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is ZOABRQBNDUXKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-10(2)8-17-6-4-12(5-7-17)16-14(18)13-11(3)15-9-19-13/h9,12H,1,4-8H2,2-3H3,(H,16,18).
What are the key properties of 4-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 279.41 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 49448901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).