2-amino-N-(1-propanoylpiperidin-4-yl)-1,3-thiazole-5-carboxamide

C12H18N4O2S — CID 122563948

IUPAC2-amino-N-(1-propanoylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
SMILESCCC(=O)N1CCC(NC(=O)c2cnc(N)s2)CC1
InChIInChI=1S/C12H18N4O2S/c1-2-10(17)16-5-3-8(4-6-16)15-11(18)9-7-14-12(13)19-9/h7-8H,2-6H2,1H3,(H2,13,14)(H,15,18)
InChIKeyGEJCJJRGJXVSIY-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.86
Rot. Bonds3

About 2-amino-N-(1-propanoylpiperidin-4-yl)-1,3-thiazole-5-carboxamide

2-amino-N-(1-propanoylpiperidin-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 122563948) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-amino-N-(1-propanoylpiperidin-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1-propanoylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID122563948
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name2-amino-N-(1-propanoylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
SMILESCCC(=O)N1CCC(NC(=O)c2cnc(N)s2)CC1
InChIInChI=1S/C12H18N4O2S/c1-2-10(17)16-5-3-8(4-6-16)15-11(18)9-7-14-12(13)19-9/h7-8H,2-6H2,1H3,(H2,13,14)(H,15,18)
InChIKeyGEJCJJRGJXVSIY-UHFFFAOYSA-N
XLogP0.86
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-propanoylpiperidin-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-(1-propanoylpiperidin-4-yl)-1,3-thiazole-5-carboxamide (CID 122563948) is 2-amino-N-(1-propanoylpiperidin-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-(1-propanoylpiperidin-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-(1-propanoylpiperidin-4-yl)-1,3-thiazole-5-carboxamide is CCC(=O)N1CCC(NC(=O)c2cnc(N)s2)CC1.
What is the InChIKey of 2-amino-N-(1-propanoylpiperidin-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is GEJCJJRGJXVSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-2-10(17)16-5-3-8(4-6-16)15-11(18)9-7-14-12(13)19-9/h7-8H,2-6H2,1H3,(H2,13,14)(H,15,18).
What are the key properties of 2-amino-N-(1-propanoylpiperidin-4-yl)-1,3-thiazole-5-carboxamide?
2-amino-N-(1-propanoylpiperidin-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 282.37 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-propanoylpiperidin-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 122563948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).