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

C16H26N4O2S — CID 146193055

IUPACN-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-5-ethyl-1,3-thiazole-2-carboxamide
SMILESCCc1cnc(C(=O)NC(C)C2CCN(C(=O)C(C)N)CC2)s1
InChIInChI=1S/C16H26N4O2S/c1-4-13-9-18-15(23-13)14(21)19-11(3)12-5-7-20(8-6-12)16(22)10(2)17/h9-12H,4-8,17H2,1-3H3,(H,19,21)
InChIKeyKQJYLJRCYHWOIM-UHFFFAOYSA-N
MW338.48 g/mol
LogP1.41
Rot. Bonds5

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

N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-5-ethyl-1,3-thiazole-2-carboxamide (PubChem CID 146193055) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-5-ethyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-5-ethyl-1,3-thiazole-2-carboxamide
PubChem CID146193055
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC NameN-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-5-ethyl-1,3-thiazole-2-carboxamide
SMILESCCc1cnc(C(=O)NC(C)C2CCN(C(=O)C(C)N)CC2)s1
InChIInChI=1S/C16H26N4O2S/c1-4-13-9-18-15(23-13)14(21)19-11(3)12-5-7-20(8-6-12)16(22)10(2)17/h9-12H,4-8,17H2,1-3H3,(H,19,21)
InChIKeyKQJYLJRCYHWOIM-UHFFFAOYSA-N
XLogP1.41
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-5-ethyl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-5-ethyl-1,3-thiazole-2-carboxamide (CID 146193055) is N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-5-ethyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-5-ethyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-5-ethyl-1,3-thiazole-2-carboxamide is CCc1cnc(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-ethyl-1,3-thiazole-2-carboxamide?
The InChIKey is KQJYLJRCYHWOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-4-13-9-18-15(23-13)14(21)19-11(3)12-5-7-20(8-6-12)16(22)10(2)17/h9-12H,4-8,17H2,1-3H3,(H,19,21).
What are the key properties of N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-5-ethyl-1,3-thiazole-2-carboxamide?
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-5-ethyl-1,3-thiazole-2-carboxamide has a molecular weight of 338.48 g/mol, XLogP of 1.41, 5 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-ethyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 146193055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).