N-[2-(2-methylpiperidin-1-yl)ethyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

C17H22N4OS — CID 53002366

IUPACN-[2-(2-methylpiperidin-1-yl)ethyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESCC1CCCCN1CCNC(=O)c1csc(-c2ccncc2)n1
InChIInChI=1S/C17H22N4OS/c1-13-4-2-3-10-21(13)11-9-19-16(22)15-12-23-17(20-15)14-5-7-18-8-6-14/h5-8,12-13H,2-4,9-11H2,1H3,(H,19,22)
InChIKeyFTKAUZJPNQMCBW-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.81
Rot. Bonds5

About N-[2-(2-methylpiperidin-1-yl)ethyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

N-[2-(2-methylpiperidin-1-yl)ethyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 53002366) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is N-[2-(2-methylpiperidin-1-yl)ethyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylpiperidin-1-yl)ethyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
PubChem CID53002366
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC NameN-[2-(2-methylpiperidin-1-yl)ethyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESCC1CCCCN1CCNC(=O)c1csc(-c2ccncc2)n1
InChIInChI=1S/C17H22N4OS/c1-13-4-2-3-10-21(13)11-9-19-16(22)15-12-23-17(20-15)14-5-7-18-8-6-14/h5-8,12-13H,2-4,9-11H2,1H3,(H,19,22)
InChIKeyFTKAUZJPNQMCBW-UHFFFAOYSA-N
XLogP2.81
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpiperidin-1-yl)ethyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(2-methylpiperidin-1-yl)ethyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (CID 53002366) is N-[2-(2-methylpiperidin-1-yl)ethyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-methylpiperidin-1-yl)ethyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(2-methylpiperidin-1-yl)ethyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is CC1CCCCN1CCNC(=O)c1csc(-c2ccncc2)n1.
What is the InChIKey of N-[2-(2-methylpiperidin-1-yl)ethyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The InChIKey is FTKAUZJPNQMCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-13-4-2-3-10-21(13)11-9-19-16(22)15-12-23-17(20-15)14-5-7-18-8-6-14/h5-8,12-13H,2-4,9-11H2,1H3,(H,19,22).
What are the key properties of N-[2-(2-methylpiperidin-1-yl)ethyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
N-[2-(2-methylpiperidin-1-yl)ethyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide has a molecular weight of 330.46 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpiperidin-1-yl)ethyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53002366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).