N-(2-hydroxyethyl)-3-methyl-N-pentyl-1,2-thiazole-4-carboxamide

C12H20N2O2S — CID 110028178

IUPACN-(2-hydroxyethyl)-3-methyl-N-pentyl-1,2-thiazole-4-carboxamide
SMILESCCCCCN(CCO)C(=O)c1csnc1C
InChIInChI=1S/C12H20N2O2S/c1-3-4-5-6-14(7-8-15)12(16)11-9-17-13-10(11)2/h9,15H,3-8H2,1-2H3
InChIKeyKZIWOFPPSCCGOE-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.08
Rot. Bonds7

About N-(2-hydroxyethyl)-3-methyl-N-pentyl-1,2-thiazole-4-carboxamide

N-(2-hydroxyethyl)-3-methyl-N-pentyl-1,2-thiazole-4-carboxamide (PubChem CID 110028178) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-methyl-N-pentyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-methyl-N-pentyl-1,2-thiazole-4-carboxamide
PubChem CID110028178
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-(2-hydroxyethyl)-3-methyl-N-pentyl-1,2-thiazole-4-carboxamide
SMILESCCCCCN(CCO)C(=O)c1csnc1C
InChIInChI=1S/C12H20N2O2S/c1-3-4-5-6-14(7-8-15)12(16)11-9-17-13-10(11)2/h9,15H,3-8H2,1-2H3
InChIKeyKZIWOFPPSCCGOE-UHFFFAOYSA-N
XLogP2.08
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-hydroxyethyl)-3-methyl-N-pentyl-1,2-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N-(2-hydroxyethyl)-3-methyl-1,2-thiazole-4-carboxamide
CID 110027473
N-butyl-N-(2-hydroxyethyl)-4-methylthiophene-3-carboxamide
CID 79808500
2-bromo-N-hexyl-N-(2-hydroxyethyl)-3-methylbenzamide
CID 103853368
2-[hexyl(2-hydroxyethyl)carbamoyl]benzoic acid
CID 60949991
2-methyl-N,N-dipentylbenzamide
CID 4576290
N-hexyl-N-(2-hydroxyethyl)benzamide
CID 61215400
N-butyl-N-(2-hydroxyethyl)-1-benzothiophene-3-carboxamide
CID 54942944
2,6-dichloro-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 61052289
2-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 114326080
N-butyl-N-(2-hydroxyethyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81243352
2-N,2-N,6-N,6-N-tetrahexylpyridine-2,6-dicarboxamide
CID 4094249
2-bromo-N-butyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 88634155

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-methyl-N-pentyl-1,2-thiazole-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-3-methyl-N-pentyl-1,2-thiazole-4-carboxamide (CID 110028178) is N-(2-hydroxyethyl)-3-methyl-N-pentyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-methyl-N-pentyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-methyl-N-pentyl-1,2-thiazole-4-carboxamide is CCCCCN(CCO)C(=O)c1csnc1C.
What is the InChIKey of N-(2-hydroxyethyl)-3-methyl-N-pentyl-1,2-thiazole-4-carboxamide?
The InChIKey is KZIWOFPPSCCGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-3-4-5-6-14(7-8-15)12(16)11-9-17-13-10(11)2/h9,15H,3-8H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-3-methyl-N-pentyl-1,2-thiazole-4-carboxamide?
N-(2-hydroxyethyl)-3-methyl-N-pentyl-1,2-thiazole-4-carboxamide has a molecular weight of 256.37 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-methyl-N-pentyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 110028178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).