N-benzyl-N-(2-hydroxyethyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide

C17H16N4O2S — CID 110900035

IUPACN-benzyl-N-(2-hydroxyethyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(c1csc(-c2ncccn2)n1)N(CCO)Cc1ccccc1
InChIInChI=1S/C17H16N4O2S/c22-10-9-21(11-13-5-2-1-3-6-13)17(23)14-12-24-16(20-14)15-18-7-4-8-19-15/h1-8,12,22H,9-11H2
InChIKeyGKUORKAQTYEDNU-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.23
Rot. Bonds6

About N-benzyl-N-(2-hydroxyethyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide

N-benzyl-N-(2-hydroxyethyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 110900035) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
PubChem CID110900035
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN-benzyl-N-(2-hydroxyethyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(c1csc(-c2ncccn2)n1)N(CCO)Cc1ccccc1
InChIInChI=1S/C17H16N4O2S/c22-10-9-21(11-13-5-2-1-3-6-13)17(23)14-12-24-16(20-14)15-18-7-4-8-19-15/h1-8,12,22H,9-11H2
InChIKeyGKUORKAQTYEDNU-UHFFFAOYSA-N
XLogP2.23
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-5-bromo-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 62957970
5-amino-N-benzyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 81317200
N-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 55876241
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
N-benzyl-N-ethyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 110648241
3-amino-N-benzyl-N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 110886937
N-benzyl-2-(2,3-dimethoxyphenyl)-N-propyl-1,3-thiazole-4-carboxamide
CID 46553417
N-benzyl-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 38416150
N-benzyl-N-(2-hydroxyethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84557818
N-(2-hydroxyethyl)-N-(2-phenylethyl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 86943521
N,N-bis(2-hydroxyethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 71908641
N-benzyl-N-octylpyridine-2-carboxamide
CID 42778827

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide (CID 110900035) is N-benzyl-N-(2-hydroxyethyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide is O=C(c1csc(-c2ncccn2)n1)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is GKUORKAQTYEDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c22-10-9-21(11-13-5-2-1-3-6-13)17(23)14-12-24-16(20-14)15-18-7-4-8-19-15/h1-8,12,22H,9-11H2.
What are the key properties of N-benzyl-N-(2-hydroxyethyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
N-benzyl-N-(2-hydroxyethyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxyethyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110900035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).