N-(2-hydroxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide

C15H19N5O2S — CID 117083304

IUPACN-(2-hydroxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCCO)c1cnc(N2CCN(c3ccccn3)CC2)s1
InChIInChI=1S/C15H19N5O2S/c21-10-5-17-14(22)12-11-18-15(23-12)20-8-6-19(7-9-20)13-3-1-2-4-16-13/h1-4,11,21H,5-10H2,(H,17,22)
InChIKeyKOGVQUUDGLXAQL-UHFFFAOYSA-N
MW333.42 g/mol
LogP0.59
Rot. Bonds5

About N-(2-hydroxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide

N-(2-hydroxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide (PubChem CID 117083304) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
PubChem CID117083304
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC NameN-(2-hydroxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCCO)c1cnc(N2CCN(c3ccccn3)CC2)s1
InChIInChI=1S/C15H19N5O2S/c21-10-5-17-14(22)12-11-18-15(23-12)20-8-6-19(7-9-20)13-3-1-2-4-16-13/h1-4,11,21H,5-10H2,(H,17,22)
InChIKeyKOGVQUUDGLXAQL-UHFFFAOYSA-N
XLogP0.59
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
CID 117082718
N-(2-hydroxyethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108528029
N-(2-hydroxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 43509569
N-propyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109109270
2-bromo-N-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-1,3-thiazole-5-carboxamide
CID 71679235
2-(4-pyridazin-3-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
CID 175864789
N-methyl-1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
CID 62749888
N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]thiophene-2-carboxamide
CID 42438637
N-(2-methoxyethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109113956
N-(pyridin-3-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
CID 117080115
N-ethyl-6-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide
CID 24719420
N-pentyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
CID 109048339

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide (CID 117083304) is N-(2-hydroxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide is O=C(NCCO)c1cnc(N2CCN(c3ccccn3)CC2)s1.
What is the InChIKey of N-(2-hydroxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is KOGVQUUDGLXAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c21-10-5-17-14(22)12-11-18-15(23-12)20-8-6-19(7-9-20)13-3-1-2-4-16-13/h1-4,11,21H,5-10H2,(H,17,22).
What are the key properties of N-(2-hydroxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
N-(2-hydroxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 333.42 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117083304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).