N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,3-benzothiazole-6-carboxamide

C14H19N3O2S — CID 103839934

IUPACN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,3-benzothiazole-6-carboxamide
SMILESCN(C)CC(C)(O)CNC(=O)c1ccc2ncsc2c1
InChIInChI=1S/C14H19N3O2S/c1-14(19,8-17(2)3)7-15-13(18)10-4-5-11-12(6-10)20-9-16-11/h4-6,9,19H,7-8H2,1-3H3,(H,15,18)
InChIKeyFYZYKNXCSWIUSD-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.34
Rot. Bonds5

About N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,3-benzothiazole-6-carboxamide

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 103839934) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,3-benzothiazole-6-carboxamide
PubChem CID103839934
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,3-benzothiazole-6-carboxamide
SMILESCN(C)CC(C)(O)CNC(=O)c1ccc2ncsc2c1
InChIInChI=1S/C14H19N3O2S/c1-14(19,8-17(2)3)7-15-13(18)10-4-5-11-12(6-10)20-9-16-11/h4-6,9,19H,7-8H2,1-3H3,(H,15,18)
InChIKeyFYZYKNXCSWIUSD-UHFFFAOYSA-N
XLogP1.34
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-methylpropyl)-1,3-benzothiazole-6-carboxamide
CID 23111144
N-(2-ethyl-2-hydroxybutyl)-1,3-benzothiazole-6-carboxamide
CID 65112231
N-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-1,3-benzothiazole-6-carboxamide
CID 99873823
N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-1,3-benzothiazole-6-carboxamide
CID 99816829
N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-benzothiazole-6-carboxamide
CID 103843357
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,3-benzothiazole-6-carboxamide
CID 17397618
4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 113322189
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-hydroxybenzamide
CID 110026112
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-fluoropyridine-4-carboxamide
CID 103840043
4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide
CID 103840192
N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide
CID 114618628
N-but-2-ynyl-1,3-benzothiazole-6-carboxamide;ethane
CID 143657790

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,3-benzothiazole-6-carboxamide (CID 103839934) is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,3-benzothiazole-6-carboxamide is CN(C)CC(C)(O)CNC(=O)c1ccc2ncsc2c1.
What is the InChIKey of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is FYZYKNXCSWIUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-14(19,8-17(2)3)7-15-13(18)10-4-5-11-12(6-10)20-9-16-11/h4-6,9,19H,7-8H2,1-3H3,(H,15,18).
What are the key properties of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,3-benzothiazole-6-carboxamide?
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 293.39 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 103839934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).