4-ethyl-2-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]-1,3-thiazole-5-carboxamide

C15H25N3OS — CID 56714098

IUPAC4-ethyl-2-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)sc1C(=O)NCCC1CCCN(C)C1
InChIInChI=1S/C15H25N3OS/c1-4-13-14(20-11(2)17-13)15(19)16-8-7-12-6-5-9-18(3)10-12/h12H,4-10H2,1-3H3,(H,16,19)
InChIKeyVILMKDIIWCPLBT-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.48
Rot. Bonds5

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

4-ethyl-2-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 56714098) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 4-ethyl-2-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-2-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID56714098
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name4-ethyl-2-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)sc1C(=O)NCCC1CCCN(C)C1
InChIInChI=1S/C15H25N3OS/c1-4-13-14(20-11(2)17-13)15(19)16-8-7-12-6-5-9-18(3)10-12/h12H,4-10H2,1-3H3,(H,16,19)
InChIKeyVILMKDIIWCPLBT-UHFFFAOYSA-N
XLogP2.48
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-ethyl-2-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]-1,3-thiazole-5-carboxamide (CID 56714098) is 4-ethyl-2-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-2-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-2-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]-1,3-thiazole-5-carboxamide is CCc1nc(C)sc1C(=O)NCCC1CCCN(C)C1.
What is the InChIKey of 4-ethyl-2-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is VILMKDIIWCPLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-4-13-14(20-11(2)17-13)15(19)16-8-7-12-6-5-9-18(3)10-12/h12H,4-10H2,1-3H3,(H,16,19).
What are the key properties of 4-ethyl-2-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]-1,3-thiazole-5-carboxamide?
4-ethyl-2-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 295.45 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 56714098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).