N-(2-ethyl-2-hydroxybutyl)-1,3-benzothiazole-6-carboxamide

C14H18N2O2S — CID 65112231

IUPACN-(2-ethyl-2-hydroxybutyl)-1,3-benzothiazole-6-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1ccc2ncsc2c1
InChIInChI=1S/C14H18N2O2S/c1-3-14(18,4-2)8-15-13(17)10-5-6-11-12(7-10)19-9-16-11/h5-7,9,18H,3-4,8H2,1-2H3,(H,15,17)
InChIKeySGNXBZPYVISMJE-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.58
Rot. Bonds5

About N-(2-ethyl-2-hydroxybutyl)-1,3-benzothiazole-6-carboxamide

N-(2-ethyl-2-hydroxybutyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 65112231) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-1,3-benzothiazole-6-carboxamide
PubChem CID65112231
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-1,3-benzothiazole-6-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1ccc2ncsc2c1
InChIInChI=1S/C14H18N2O2S/c1-3-14(18,4-2)8-15-13(17)10-5-6-11-12(7-10)19-9-16-11/h5-7,9,18H,3-4,8H2,1-2H3,(H,15,17)
InChIKeySGNXBZPYVISMJE-UHFFFAOYSA-N
XLogP2.58
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-ethyl-2-hydroxybutyl)-1,3-benzothiazole-6-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-(2-amino-2-methylpropyl)-1,3-benzothiazole-6-carboxamide
CID 23111144
N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-benzothiazole-6-carboxamide
CID 103843357
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,3-benzothiazole-6-carboxamide
CID 103839934
N-(2-methoxy-2-phenylbutyl)-1,3-benzothiazole-6-carboxamide
CID 90599506
N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-1,3-benzothiazole-6-carboxamide
CID 99816829
N-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-1,3-benzothiazole-6-carboxamide
CID 99873823
N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide
CID 114618628
N-(2-ethyl-2-hydroxybutyl)-2H-benzotriazole-5-carboxamide
CID 65114221
N-but-2-ynyl-1,3-benzothiazole-6-carboxamide;ethane
CID 143657790
N,N-diethyl-1,3-benzothiazole-6-carboxamide
CID 60635901
N-[(4-pentylphenyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 59192291
N-[(1-aminocycloheptyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 154577575

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-1,3-benzothiazole-6-carboxamide (CID 65112231) is N-(2-ethyl-2-hydroxybutyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-1,3-benzothiazole-6-carboxamide is CCC(O)(CC)CNC(=O)c1ccc2ncsc2c1.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is SGNXBZPYVISMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-3-14(18,4-2)8-15-13(17)10-5-6-11-12(7-10)19-9-16-11/h5-7,9,18H,3-4,8H2,1-2H3,(H,15,17).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-1,3-benzothiazole-6-carboxamide?
N-(2-ethyl-2-hydroxybutyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 65112231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).