N-[2-(2-hydroxyethyl)-4-methylpentyl]-1,3-thiazole-4-carboxamide

C12H20N2O2S — CID 111662589

IUPACN-[2-(2-hydroxyethyl)-4-methylpentyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)CC(CCO)CNC(=O)c1cscn1
InChIInChI=1S/C12H20N2O2S/c1-9(2)5-10(3-4-15)6-13-12(16)11-7-17-8-14-11/h7-10,15H,3-6H2,1-2H3,(H,13,16)
InChIKeyTZOIXDOAUQKXNN-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.92
Rot. Bonds7

About N-[2-(2-hydroxyethyl)-4-methylpentyl]-1,3-thiazole-4-carboxamide

N-[2-(2-hydroxyethyl)-4-methylpentyl]-1,3-thiazole-4-carboxamide (PubChem CID 111662589) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)-4-methylpentyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)-4-methylpentyl]-1,3-thiazole-4-carboxamide
PubChem CID111662589
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-[2-(2-hydroxyethyl)-4-methylpentyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)CC(CCO)CNC(=O)c1cscn1
InChIInChI=1S/C12H20N2O2S/c1-9(2)5-10(3-4-15)6-13-12(16)11-7-17-8-14-11/h7-10,15H,3-6H2,1-2H3,(H,13,16)
InChIKeyTZOIXDOAUQKXNN-UHFFFAOYSA-N
XLogP1.92
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxy-2-methylbutyl)-1,3-thiazole-4-carboxamide
CID 66106843
N-[3-hydroxy-2-(hydroxymethyl)propyl]-1,3-thiazole-4-carboxamide
CID 143320313
N-(4-hydroxybutan-2-yl)-1,3-thiazole-4-carboxamide
CID 81042781
N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 63038589
3-methyl-4-(1,3-thiazole-4-carbonylamino)butanoic acid
CID 84587793
5-methyl-3-[(1,3-thiazol-4-ylmethylamino)methyl]hexan-1-ol
CID 111498615
N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 111697544
N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662609
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 119525591
1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(2-methylpropyl)urea
CID 111503800
4-acetyl-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662598
N-(2-bromo-3-methoxypropyl)-1,3-thiazole-4-carboxamide
CID 114309848

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)-4-methylpentyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethyl)-4-methylpentyl]-1,3-thiazole-4-carboxamide (CID 111662589) is N-[2-(2-hydroxyethyl)-4-methylpentyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)-4-methylpentyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)-4-methylpentyl]-1,3-thiazole-4-carboxamide is CC(C)CC(CCO)CNC(=O)c1cscn1.
What is the InChIKey of N-[2-(2-hydroxyethyl)-4-methylpentyl]-1,3-thiazole-4-carboxamide?
The InChIKey is TZOIXDOAUQKXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-9(2)5-10(3-4-15)6-13-12(16)11-7-17-8-14-11/h7-10,15H,3-6H2,1-2H3,(H,13,16).
What are the key properties of N-[2-(2-hydroxyethyl)-4-methylpentyl]-1,3-thiazole-4-carboxamide?
N-[2-(2-hydroxyethyl)-4-methylpentyl]-1,3-thiazole-4-carboxamide has a molecular weight of 256.37 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)-4-methylpentyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 111662589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).