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

C12H15N3O2S — CID 60655382

IUPAC2-amino-N-ethyl-N-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxamide
SMILESCCN(CCO)C(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C12H15N3O2S/c1-2-15(5-6-16)11(17)8-3-4-9-10(7-8)18-12(13)14-9/h3-4,7,16H,2,5-6H2,1H3,(H2,13,14)
InChIKeyDVZIIYXCHXGOSB-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.33
Rot. Bonds4

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

2-amino-N-ethyl-N-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 60655382) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-amino-N-ethyl-N-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-ethyl-N-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxamide
PubChem CID60655382
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name2-amino-N-ethyl-N-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxamide
SMILESCCN(CCO)C(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C12H15N3O2S/c1-2-15(5-6-16)11(17)8-3-4-9-10(7-8)18-12(13)14-9/h3-4,7,16H,2,5-6H2,1H3,(H2,13,14)
InChIKeyDVZIIYXCHXGOSB-UHFFFAOYSA-N
XLogP1.33
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N,N-bis(2-methylpropyl)-1,3-benzothiazole-6-carboxamide
CID 60655171
2-amino-N-ethyl-N-(furan-2-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 65349536
N-ethyl-N-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxamide
CID 60653832
3-[(2-amino-1,3-benzothiazole-6-carbonyl)-methylamino]propanoic acid
CID 65349258
2-amino-N-methyl-N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide
CID 113498617
2-amino-N-pentyl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide
CID 65349489
2-amino-N-(3-methoxypropyl)-N-methyl-1,3-benzothiazole-6-carboxamide
CID 65349262
2-amino-N-methyl-N-(4-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 65349067
2-amino-N-(cyclopropylmethyl)-N-methyl-1,3-benzothiazole-6-carboxamide
CID 65349726
2-amino-N-(4-fluorophenyl)-N-methyl-1,3-benzothiazole-6-carboxamide
CID 65349019
ethyl 2-amino-1,3-benzothiazole-6-carboxylate;methanimine
CID 164572058
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazole-6-carboxamide
CID 60657186

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-N-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-ethyl-N-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxamide (CID 60655382) is 2-amino-N-ethyl-N-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-ethyl-N-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-ethyl-N-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxamide is CCN(CCO)C(=O)c1ccc2nc(N)sc2c1.
What is the InChIKey of 2-amino-N-ethyl-N-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is DVZIIYXCHXGOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-2-15(5-6-16)11(17)8-3-4-9-10(7-8)18-12(13)14-9/h3-4,7,16H,2,5-6H2,1H3,(H2,13,14).
What are the key properties of 2-amino-N-ethyl-N-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxamide?
2-amino-N-ethyl-N-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-N-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 60655382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).