2-(4-morpholin-4-ylpiperidin-1-yl)-N-propyl-1,3-thiazole-5-carboxamide

C16H26N4O2S — CID 117083675

IUPAC2-(4-morpholin-4-ylpiperidin-1-yl)-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1cnc(N2CCC(N3CCOCC3)CC2)s1
InChIInChI=1S/C16H26N4O2S/c1-2-5-17-15(21)14-12-18-16(23-14)20-6-3-13(4-7-20)19-8-10-22-11-9-19/h12-13H,2-11H2,1H3,(H,17,21)
InChIKeyKSHUAXCUQLURQS-UHFFFAOYSA-N
MW338.48 g/mol
LogP1.58
Rot. Bonds5

About 2-(4-morpholin-4-ylpiperidin-1-yl)-N-propyl-1,3-thiazole-5-carboxamide

2-(4-morpholin-4-ylpiperidin-1-yl)-N-propyl-1,3-thiazole-5-carboxamide (PubChem CID 117083675) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylpiperidin-1-yl)-N-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-morpholin-4-ylpiperidin-1-yl)-N-propyl-1,3-thiazole-5-carboxamide
PubChem CID117083675
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name2-(4-morpholin-4-ylpiperidin-1-yl)-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1cnc(N2CCC(N3CCOCC3)CC2)s1
InChIInChI=1S/C16H26N4O2S/c1-2-5-17-15(21)14-12-18-16(23-14)20-6-3-13(4-7-20)19-8-10-22-11-9-19/h12-13H,2-11H2,1H3,(H,17,21)
InChIKeyKSHUAXCUQLURQS-UHFFFAOYSA-N
XLogP1.58
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylpiperidin-1-yl)-N-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-morpholin-4-ylpiperidin-1-yl)-N-propyl-1,3-thiazole-5-carboxamide (CID 117083675) is 2-(4-morpholin-4-ylpiperidin-1-yl)-N-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-morpholin-4-ylpiperidin-1-yl)-N-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-morpholin-4-ylpiperidin-1-yl)-N-propyl-1,3-thiazole-5-carboxamide is CCCNC(=O)c1cnc(N2CCC(N3CCOCC3)CC2)s1.
What is the InChIKey of 2-(4-morpholin-4-ylpiperidin-1-yl)-N-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is KSHUAXCUQLURQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-2-5-17-15(21)14-12-18-16(23-14)20-6-3-13(4-7-20)19-8-10-22-11-9-19/h12-13H,2-11H2,1H3,(H,17,21).
What are the key properties of 2-(4-morpholin-4-ylpiperidin-1-yl)-N-propyl-1,3-thiazole-5-carboxamide?
2-(4-morpholin-4-ylpiperidin-1-yl)-N-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 338.48 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylpiperidin-1-yl)-N-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117083675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).