N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-5-methyl-1,3-thiazole-2-carboxamide

C15H24N4O2S — CID 146193088

IUPACN-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-5-methyl-1,3-thiazole-2-carboxamide
SMILESCc1cnc(C(=O)NC(C)C2CCN(C(=O)C(C)N)CC2)s1
InChIInChI=1S/C15H24N4O2S/c1-9-8-17-14(22-9)13(20)18-11(3)12-4-6-19(7-5-12)15(21)10(2)16/h8,10-12H,4-7,16H2,1-3H3,(H,18,20)
InChIKeyHXYOGSRZBHOXMA-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.16
Rot. Bonds4

About N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-5-methyl-1,3-thiazole-2-carboxamide

N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-5-methyl-1,3-thiazole-2-carboxamide (PubChem CID 146193088) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-5-methyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-5-methyl-1,3-thiazole-2-carboxamide
PubChem CID146193088
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC NameN-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-5-methyl-1,3-thiazole-2-carboxamide
SMILESCc1cnc(C(=O)NC(C)C2CCN(C(=O)C(C)N)CC2)s1
InChIInChI=1S/C15H24N4O2S/c1-9-8-17-14(22-9)13(20)18-11(3)12-4-6-19(7-5-12)15(21)10(2)16/h8,10-12H,4-7,16H2,1-3H3,(H,18,20)
InChIKeyHXYOGSRZBHOXMA-UHFFFAOYSA-N
XLogP1.16
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-5-methyl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-5-methyl-1,3-thiazole-2-carboxamide (CID 146193088) is N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-5-methyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-5-methyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-5-methyl-1,3-thiazole-2-carboxamide is Cc1cnc(C(=O)NC(C)C2CCN(C(=O)C(C)N)CC2)s1.
What is the InChIKey of N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-5-methyl-1,3-thiazole-2-carboxamide?
The InChIKey is HXYOGSRZBHOXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-9-8-17-14(22-9)13(20)18-11(3)12-4-6-19(7-5-12)15(21)10(2)16/h8,10-12H,4-7,16H2,1-3H3,(H,18,20).
What are the key properties of N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-5-methyl-1,3-thiazole-2-carboxamide?
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-5-methyl-1,3-thiazole-2-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-5-methyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 146193088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).