N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide

C15H24N4O2S — CID 56812771

IUPACN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
SMILESCCCc1nc(C)c(C(=O)NC2CCN(CC(N)=O)CC2)s1
InChIInChI=1S/C15H24N4O2S/c1-3-4-13-17-10(2)14(22-13)15(21)18-11-5-7-19(8-6-11)9-12(16)20/h11H,3-9H2,1-2H3,(H2,16,20)(H,18,21)
InChIKeyOAOBGONDEASEGU-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.08
Rot. Bonds6

About N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide (PubChem CID 56812771) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
PubChem CID56812771
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
SMILESCCCc1nc(C)c(C(=O)NC2CCN(CC(N)=O)CC2)s1
InChIInChI=1S/C15H24N4O2S/c1-3-4-13-17-10(2)14(22-13)15(21)18-11-5-7-19(8-6-11)9-12(16)20/h11H,3-9H2,1-2H3,(H2,16,20)(H,18,21)
InChIKeyOAOBGONDEASEGU-UHFFFAOYSA-N
XLogP1.08
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide (CID 56812771) is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide is CCCc1nc(C)c(C(=O)NC2CCN(CC(N)=O)CC2)s1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is OAOBGONDEASEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-3-4-13-17-10(2)14(22-13)15(21)18-11-5-7-19(8-6-11)9-12(16)20/h11H,3-9H2,1-2H3,(H2,16,20)(H,18,21).
What are the key properties of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide?
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 56812771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).