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

C17H28N4O2S — CID 46981504

IUPACN-ethyl-4-methyl-N-(1-methylpiperidin-4-yl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
SMILESCCN(C(=O)c1sc(N2CCOCC2)nc1C)C1CCN(C)CC1
InChIInChI=1S/C17H28N4O2S/c1-4-21(14-5-7-19(3)8-6-14)16(22)15-13(2)18-17(24-15)20-9-11-23-12-10-20/h14H,4-12H2,1-3H3
InChIKeyIWEGOCLQYZWGAD-UHFFFAOYSA-N
MW352.50 g/mol
LogP1.84
Rot. Bonds4

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

N-ethyl-4-methyl-N-(1-methylpiperidin-4-yl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide (PubChem CID 46981504) has the molecular formula C17H28N4O2S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-ethyl-4-methyl-N-(1-methylpiperidin-4-yl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-N-(1-methylpiperidin-4-yl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
PubChem CID46981504
Molecular FormulaC17H28N4O2S
Molecular Weight352.50 g/mol
Exact Mass352.19
IUPAC NameN-ethyl-4-methyl-N-(1-methylpiperidin-4-yl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
SMILESCCN(C(=O)c1sc(N2CCOCC2)nc1C)C1CCN(C)CC1
InChIInChI=1S/C17H28N4O2S/c1-4-21(14-5-7-19(3)8-6-14)16(22)15-13(2)18-17(24-15)20-9-11-23-12-10-20/h14H,4-12H2,1-3H3
InChIKeyIWEGOCLQYZWGAD-UHFFFAOYSA-N
XLogP1.84
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-N-(1-methylpiperidin-4-yl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-ethyl-4-methyl-N-(1-methylpiperidin-4-yl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide (CID 46981504) is N-ethyl-4-methyl-N-(1-methylpiperidin-4-yl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-ethyl-4-methyl-N-(1-methylpiperidin-4-yl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-ethyl-4-methyl-N-(1-methylpiperidin-4-yl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide is CCN(C(=O)c1sc(N2CCOCC2)nc1C)C1CCN(C)CC1.
What is the InChIKey of N-ethyl-4-methyl-N-(1-methylpiperidin-4-yl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The InChIKey is IWEGOCLQYZWGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2S/c1-4-21(14-5-7-19(3)8-6-14)16(22)15-13(2)18-17(24-15)20-9-11-23-12-10-20/h14H,4-12H2,1-3H3.
What are the key properties of N-ethyl-4-methyl-N-(1-methylpiperidin-4-yl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
N-ethyl-4-methyl-N-(1-methylpiperidin-4-yl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide has a molecular weight of 352.50 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-N-(1-methylpiperidin-4-yl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46981504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).