N-[2-(2-hydroxyethyl)pentyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide

C15H20N4O2S — CID 111697417

IUPACN-[2-(2-hydroxyethyl)pentyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
SMILESCCCC(CCO)CNC(=O)c1csc(-c2cnccn2)n1
InChIInChI=1S/C15H20N4O2S/c1-2-3-11(4-7-20)8-18-14(21)13-10-22-15(19-13)12-9-16-5-6-17-12/h5-6,9-11,20H,2-4,7-8H2,1H3,(H,18,21)
InChIKeyILYJFZYLYAYFML-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.13
Rot. Bonds8

About N-[2-(2-hydroxyethyl)pentyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide

N-[2-(2-hydroxyethyl)pentyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 111697417) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)pentyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)pentyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
PubChem CID111697417
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC NameN-[2-(2-hydroxyethyl)pentyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
SMILESCCCC(CCO)CNC(=O)c1csc(-c2cnccn2)n1
InChIInChI=1S/C15H20N4O2S/c1-2-3-11(4-7-20)8-18-14(21)13-10-22-15(19-13)12-9-16-5-6-17-12/h5-6,9-11,20H,2-4,7-8H2,1H3,(H,18,21)
InChIKeyILYJFZYLYAYFML-UHFFFAOYSA-N
XLogP2.13
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-chlorophenyl)-N-[(2S)-2-(2-hydroxyethyl)pentyl]-1,3-thiazole-4-carboxamide
CID 95787801
N-(2-hydroxy-2,5-dimethylhexyl)-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
CID 111485207
4-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 120534939
N-[2-(2-hydroxyethyl)pentyl]pyridine-3-carboxamide
CID 103722744
(2R)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 119369567
N-[(2-methoxyphenyl)methyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
CID 6734087
N-[2-(2-hydroxyethyl)pentyl]-4-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 111697336
N-[2-(2-hydroxyethyl)pentyl]pyridine-4-carboxamide
CID 111662354
N-(3-piperazin-1-ylpropyl)-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119392029
tert-butyl (2S,3S)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]pentanoate
CID 75390054
2-pyrazin-2-yl-N-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 100617019
N-(4-hydroxy-2-methylbutyl)pyrazine-2-carboxamide
CID 66106195

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide (CID 111697417) is N-[2-(2-hydroxyethyl)pentyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)pentyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)pentyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide is CCCC(CCO)CNC(=O)c1csc(-c2cnccn2)n1.
What is the InChIKey of N-[2-(2-hydroxyethyl)pentyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is ILYJFZYLYAYFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-2-3-11(4-7-20)8-18-14(21)13-10-22-15(19-13)12-9-16-5-6-17-12/h5-6,9-11,20H,2-4,7-8H2,1H3,(H,18,21).
What are the key properties of N-[2-(2-hydroxyethyl)pentyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide?
N-[2-(2-hydroxyethyl)pentyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 320.42 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)pentyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 111697417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).