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

C13H20N4O2S — CID 117084797

IUPAC2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(N2CCC(N3CCOCC3)CC2)s1
InChIInChI=1S/C13H20N4O2S/c14-12(18)11-9-15-13(20-11)17-3-1-10(2-4-17)16-5-7-19-8-6-16/h9-10H,1-8H2,(H2,14,18)
InChIKeySGJJPXYMKXQPLF-UHFFFAOYSA-N
MW296.40 g/mol
LogP0.54
Rot. Bonds3

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

2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide (PubChem CID 117084797) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide
PubChem CID117084797
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(N2CCC(N3CCOCC3)CC2)s1
InChIInChI=1S/C13H20N4O2S/c14-12(18)11-9-15-13(20-11)17-3-1-10(2-4-17)16-5-7-19-8-6-16/h9-10H,1-8H2,(H2,14,18)
InChIKeySGJJPXYMKXQPLF-UHFFFAOYSA-N
XLogP0.54
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 50.54
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)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide (CID 117084797) is 2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide is NC(=O)c1cnc(N2CCC(N3CCOCC3)CC2)s1.
What is the InChIKey of 2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is SGJJPXYMKXQPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c14-12(18)11-9-15-13(20-11)17-3-1-10(2-4-17)16-5-7-19-8-6-16/h9-10H,1-8H2,(H2,14,18).
What are the key properties of 2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide?
2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 296.40 g/mol, XLogP of 0.54, 3 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)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117084797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).