N-(2-hydroxyethyl)-2-methyl-1,3-benzothiazole-6-carboxamide

C11H12N2O2S — CID 5210335

IUPACN-(2-hydroxyethyl)-2-methyl-1,3-benzothiazole-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCCO)cc2s1
InChIInChI=1S/C11H12N2O2S/c1-7-13-9-3-2-8(6-10(9)16-7)11(15)12-4-5-14/h2-3,6,14H,4-5H2,1H3,(H,12,15)
InChIKeyTVUYWCAZHMZPLN-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.33
Rot. Bonds3

About N-(2-hydroxyethyl)-2-methyl-1,3-benzothiazole-6-carboxamide

N-(2-hydroxyethyl)-2-methyl-1,3-benzothiazole-6-carboxamide (PubChem CID 5210335) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-methyl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-methyl-1,3-benzothiazole-6-carboxamide
PubChem CID5210335
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC NameN-(2-hydroxyethyl)-2-methyl-1,3-benzothiazole-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCCO)cc2s1
InChIInChI=1S/C11H12N2O2S/c1-7-13-9-3-2-8(6-10(9)16-7)11(15)12-4-5-14/h2-3,6,14H,4-5H2,1H3,(H,12,15)
InChIKeyTVUYWCAZHMZPLN-UHFFFAOYSA-N
XLogP1.33
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-2-methyl-1,3-benzothiazole-5-carboxamide
CID 27089017
2-[(2-methyl-1,3-benzothiazole-6-carbonyl)amino]ethanesulfinic acid
CID 145100847
N-ethyl-2-methyl-1,3-benzothiazole-6-carboxamide;molecular hydrogen
CID 155749287
N-(methoxymethyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 68765772
N-benzyl-2-methyl-1,3-benzothiazole-6-carboxamide
CID 3154693
2-methyl-N-[(4-sulfamoylphenyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 28934838
N-(2-acetamidoethyl)-2-amino-1,3-benzothiazole-6-carboxamide
CID 60636547
2-methyl-N-(1H-1,2,4-triazol-5-yl)-1,3-benzothiazole-6-carboxamide
CID 126195886
N-(2-hydroxyethyl)-2-methyl-3H-benzimidazole-5-carboxamide
CID 70877342
ethyl 3-(2-methyl-1,3-benzothiazol-6-yl)-3-oxopropanoate
CID 11425532
(3R)-3-[(2-methyl-1,3-benzothiazole-6-carbonyl)amino]hexanoic acid
CID 126451493
N-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2-methyl-1,3-benzothiazole-6-carboxamide
CID 99954907

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-methyl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-methyl-1,3-benzothiazole-6-carboxamide (CID 5210335) is N-(2-hydroxyethyl)-2-methyl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-methyl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-methyl-1,3-benzothiazole-6-carboxamide is Cc1nc2ccc(C(=O)NCCO)cc2s1.
What is the InChIKey of N-(2-hydroxyethyl)-2-methyl-1,3-benzothiazole-6-carboxamide?
The InChIKey is TVUYWCAZHMZPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-7-13-9-3-2-8(6-10(9)16-7)11(15)12-4-5-14/h2-3,6,14H,4-5H2,1H3,(H,12,15).
What are the key properties of N-(2-hydroxyethyl)-2-methyl-1,3-benzothiazole-6-carboxamide?
N-(2-hydroxyethyl)-2-methyl-1,3-benzothiazole-6-carboxamide has a molecular weight of 236.30 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-methyl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 5210335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).