N-[2-(2-hydroxyethyl)pentyl]-4-(4-methyl-1,3-thiazol-2-yl)benzamide

C18H24N2O2S — CID 111697336

IUPACN-[2-(2-hydroxyethyl)pentyl]-4-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCCCC(CCO)CNC(=O)c1ccc(-c2nc(C)cs2)cc1
InChIInChI=1S/C18H24N2O2S/c1-3-4-14(9-10-21)11-19-17(22)15-5-7-16(8-6-15)18-20-13(2)12-23-18/h5-8,12,14,21H,3-4,9-11H2,1-2H3,(H,19,22)
InChIKeyWEJRSVGDBDAVSZ-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.65
Rot. Bonds8

About N-[2-(2-hydroxyethyl)pentyl]-4-(4-methyl-1,3-thiazol-2-yl)benzamide

N-[2-(2-hydroxyethyl)pentyl]-4-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 111697336) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)pentyl]-4-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)pentyl]-4-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID111697336
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC NameN-[2-(2-hydroxyethyl)pentyl]-4-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCCCC(CCO)CNC(=O)c1ccc(-c2nc(C)cs2)cc1
InChIInChI=1S/C18H24N2O2S/c1-3-4-14(9-10-21)11-19-17(22)15-5-7-16(8-6-15)18-20-13(2)12-23-18/h5-8,12,14,21H,3-4,9-11H2,1-2H3,(H,19,22)
InChIKeyWEJRSVGDBDAVSZ-UHFFFAOYSA-N
XLogP3.65
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-hydroxyethyl)pentyl]pyridine-4-carboxamide
CID 111662354
N-[2-(2-hydroxyethyl)pentyl]-4-methylsulfonylbenzamide
CID 103722829
2-(2-chlorophenyl)-N-[(2S)-2-(2-hydroxyethyl)pentyl]-1,3-thiazole-4-carboxamide
CID 95787801
4-(4-methyl-1,3-thiazol-2-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 51100707
N-[2-(2-hydroxyethyl)pentyl]-3,5-dimethylbenzamide
CID 103722617
N-[2-(2-hydroxyethyl)pentyl]-2-phenylpyrimidine-5-carboxamide
CID 111662357
N-[2-(2-bromoethyl)pentyl]-4-ethylbenzamide
CID 106118118
N-[2-(2-hydroxyethyl)pentyl]pyridine-3-carboxamide
CID 103722744
N-[2-(2-hydroxyethyl)pentyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
CID 111697417
N-[2-(2-hydroxyethyl)pentyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 111662305
N-[2-(2-hydroxyethyl)pentyl]-2,4-dimethylbenzamide
CID 103722758
N-[2-(2-hydroxyethyl)pentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 103722801

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-4-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-4-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 111697336) is N-[2-(2-hydroxyethyl)pentyl]-4-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)pentyl]-4-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)pentyl]-4-(4-methyl-1,3-thiazol-2-yl)benzamide is CCCC(CCO)CNC(=O)c1ccc(-c2nc(C)cs2)cc1.
What is the InChIKey of N-[2-(2-hydroxyethyl)pentyl]-4-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is WEJRSVGDBDAVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-3-4-14(9-10-21)11-19-17(22)15-5-7-16(8-6-15)18-20-13(2)12-23-18/h5-8,12,14,21H,3-4,9-11H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(2-hydroxyethyl)pentyl]-4-(4-methyl-1,3-thiazol-2-yl)benzamide?
N-[2-(2-hydroxyethyl)pentyl]-4-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 332.47 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)pentyl]-4-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 111697336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).