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

C16H26N4O2S — CID 117084002

IUPAC2-(4-morpholin-4-ylpiperidin-1-yl)-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCNC(=O)c1csc(N2CCC(N3CCOCC3)CC2)n1
InChIInChI=1S/C16H26N4O2S/c1-2-5-17-15(21)14-12-23-16(18-14)20-6-3-13(4-7-20)19-8-10-22-11-9-19/h12-13H,2-11H2,1H3,(H,17,21)
InChIKeyBEULFLVGJGTKTK-UHFFFAOYSA-N
MW338.48 g/mol
LogP1.58
Rot. Bonds5

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

2-(4-morpholin-4-ylpiperidin-1-yl)-N-propyl-1,3-thiazole-4-carboxamide (PubChem CID 117084002) 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-4-carboxamide.

Molecular Properties

Compound Name2-(4-morpholin-4-ylpiperidin-1-yl)-N-propyl-1,3-thiazole-4-carboxamide
PubChem CID117084002
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name2-(4-morpholin-4-ylpiperidin-1-yl)-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCNC(=O)c1csc(N2CCC(N3CCOCC3)CC2)n1
InChIInChI=1S/C16H26N4O2S/c1-2-5-17-15(21)14-12-23-16(18-14)20-6-3-13(4-7-20)19-8-10-22-11-9-19/h12-13H,2-11H2,1H3,(H,17,21)
InChIKeyBEULFLVGJGTKTK-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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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide
CID 117094105
N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 50960264
N'-(cyclopropanecarbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 17439911
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide
CID 171138573
1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 24574552
N-[(3,5-difluoro-2-pyridinyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-4-carboxamide
CID 156735206
N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 18120613
2-indazol-1-yl-N-[2-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 59332332
1-[2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanol
CID 64543603
3,4-dimethyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 24553651
N'-(2,5-dimethylthiophene-3-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 24553635
N'-(5-methylfuran-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 18120592

Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylpiperidin-1-yl)-N-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-morpholin-4-ylpiperidin-1-yl)-N-propyl-1,3-thiazole-4-carboxamide (CID 117084002) is 2-(4-morpholin-4-ylpiperidin-1-yl)-N-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-morpholin-4-ylpiperidin-1-yl)-N-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-morpholin-4-ylpiperidin-1-yl)-N-propyl-1,3-thiazole-4-carboxamide is CCCNC(=O)c1csc(N2CCC(N3CCOCC3)CC2)n1.
What is the InChIKey of 2-(4-morpholin-4-ylpiperidin-1-yl)-N-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is BEULFLVGJGTKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-2-5-17-15(21)14-12-23-16(18-14)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-4-carboxamide?
2-(4-morpholin-4-ylpiperidin-1-yl)-N-propyl-1,3-thiazole-4-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-4-carboxamide is sourced from PubChem (CID 117084002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).