N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-benzothiazole-6-carboxamide

C15H20N2O2S — CID 103843357

IUPACN-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-benzothiazole-6-carboxamide
SMILESCCC(CC)(CO)CNC(=O)c1ccc2ncsc2c1
InChIInChI=1S/C15H20N2O2S/c1-3-15(4-2,9-18)8-16-14(19)11-5-6-12-13(7-11)20-10-17-12/h5-7,10,18H,3-4,8-9H2,1-2H3,(H,16,19)
InChIKeyVEVVLSSXQPZJLI-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.82
Rot. Bonds6

About N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-benzothiazole-6-carboxamide

N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 103843357) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-benzothiazole-6-carboxamide
PubChem CID103843357
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-benzothiazole-6-carboxamide
SMILESCCC(CC)(CO)CNC(=O)c1ccc2ncsc2c1
InChIInChI=1S/C15H20N2O2S/c1-3-15(4-2,9-18)8-16-14(19)11-5-6-12-13(7-11)20-10-17-12/h5-7,10,18H,3-4,8-9H2,1-2H3,(H,16,19)
InChIKeyVEVVLSSXQPZJLI-UHFFFAOYSA-N
XLogP2.82
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-2-hydroxybutyl)-1,3-benzothiazole-6-carboxamide
CID 65112231
N-(2-amino-2-methylpropyl)-1,3-benzothiazole-6-carboxamide
CID 23111144
N-(2-methoxy-2-phenylbutyl)-1,3-benzothiazole-6-carboxamide
CID 90599506
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,3-benzothiazole-6-carboxamide
CID 103839934
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-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-1,3-benzothiazole-6-carboxamide
CID 99816829
N-but-2-ynyl-1,3-benzothiazole-6-carboxamide;ethane
CID 143657790
4-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide
CID 106249424
2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-4-carboxamide
CID 103843602
N-[2-ethyl-2-(hydroxymethyl)butyl]naphthalene-2-carboxamide
CID 103843738
N,N-diethyl-1,3-benzothiazole-6-carboxamide
CID 60635901

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-benzothiazole-6-carboxamide (CID 103843357) is N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-benzothiazole-6-carboxamide is CCC(CC)(CO)CNC(=O)c1ccc2ncsc2c1.
What is the InChIKey of N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is VEVVLSSXQPZJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-3-15(4-2,9-18)8-16-14(19)11-5-6-12-13(7-11)20-10-17-12/h5-7,10,18H,3-4,8-9H2,1-2H3,(H,16,19).
What are the key properties of N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-benzothiazole-6-carboxamide?
N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 103843357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).