4-hydroxy-N,N-dimethyl-1,3-benzothiazole-2-carboxamide

C10H10N2O2S — CID 45076989

IUPAC4-hydroxy-N,N-dimethyl-1,3-benzothiazole-2-carboxamide
SMILESCN(C)C(=O)c1nc2c(O)cccc2s1
InChIInChI=1S/C10H10N2O2S/c1-12(2)10(14)9-11-8-6(13)4-3-5-7(8)15-9/h3-5,13H,1-2H3
InChIKeyBEMSTSHYJFPKMD-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.70
Rot. Bonds1

About 4-hydroxy-N,N-dimethyl-1,3-benzothiazole-2-carboxamide

4-hydroxy-N,N-dimethyl-1,3-benzothiazole-2-carboxamide (PubChem CID 45076989) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 4-hydroxy-N,N-dimethyl-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N,N-dimethyl-1,3-benzothiazole-2-carboxamide
PubChem CID45076989
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name4-hydroxy-N,N-dimethyl-1,3-benzothiazole-2-carboxamide
SMILESCN(C)C(=O)c1nc2c(O)cccc2s1
InChIInChI=1S/C10H10N2O2S/c1-12(2)10(14)9-11-8-6(13)4-3-5-7(8)15-9/h3-5,13H,1-2H3
InChIKeyBEMSTSHYJFPKMD-UHFFFAOYSA-N
XLogP1.70
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-1,3-benzothiazol-4-ol
CID 73012532
2-N,2-N,6-N,6-N-tetramethylpyridine-2,6-dicarboxamide
CID 10955130
2-propyl-1,3-benzothiazol-4-ol
CID 82190216
4-tert-butyl-1,3-benzothiazole-2-carboxamide
CID 175765312
4-chloro-1,3-benzothiazole-2-carboxamide
CID 22283388
2-[1,3-benzothiazole-2-carbonyl(methyl)amino]acetic acid
CID 110488490
4-(2-phenylethyl)-1,3-benzothiazole-2-carboxylic acid
CID 142245945
5-tert-butyl-N,N-dimethyl-4-phenyl-1,3-thiazole-2-carboxamide
CID 122606723
2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N,N-dimethylacetamide
CID 90605526
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-1,3-benzothiazole-2-carboxamide;hydrochloride
CID 16808409
2-[4-(trideuteriomethyl)phenyl]-1,3-benzothiazol-4-ol
CID 10824205
2-(4-aminophenyl)-1,3-benzothiazol-4-ol
CID 10752678

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N,N-dimethyl-1,3-benzothiazole-2-carboxamide?
The IUPAC name of 4-hydroxy-N,N-dimethyl-1,3-benzothiazole-2-carboxamide (CID 45076989) is 4-hydroxy-N,N-dimethyl-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N,N-dimethyl-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for 4-hydroxy-N,N-dimethyl-1,3-benzothiazole-2-carboxamide is CN(C)C(=O)c1nc2c(O)cccc2s1.
What is the InChIKey of 4-hydroxy-N,N-dimethyl-1,3-benzothiazole-2-carboxamide?
The InChIKey is BEMSTSHYJFPKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-12(2)10(14)9-11-8-6(13)4-3-5-7(8)15-9/h3-5,13H,1-2H3.
What are the key properties of 4-hydroxy-N,N-dimethyl-1,3-benzothiazole-2-carboxamide?
4-hydroxy-N,N-dimethyl-1,3-benzothiazole-2-carboxamide has a molecular weight of 222.27 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N,N-dimethyl-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 45076989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).