N-(2-hydroxy-2-thiophen-3-ylethyl)-1,3-benzothiazole-2-carboxamide

C14H12N2O2S2 — CID 90496484

IUPACN-(2-hydroxy-2-thiophen-3-ylethyl)-1,3-benzothiazole-2-carboxamide
SMILESO=C(NCC(O)c1ccsc1)c1nc2ccccc2s1
InChIInChI=1S/C14H12N2O2S2/c17-11(9-5-6-19-8-9)7-15-13(18)14-16-10-3-1-2-4-12(10)20-14/h1-6,8,11,17H,7H2,(H,15,18)
InChIKeyMXQZXILIHGUESY-UHFFFAOYSA-N
MW304.40 g/mol
LogP2.82
Rot. Bonds4

About N-(2-hydroxy-2-thiophen-3-ylethyl)-1,3-benzothiazole-2-carboxamide

N-(2-hydroxy-2-thiophen-3-ylethyl)-1,3-benzothiazole-2-carboxamide (PubChem CID 90496484) has the molecular formula C14H12N2O2S2 and a molecular weight of 304.40 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylethyl)-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylethyl)-1,3-benzothiazole-2-carboxamide
PubChem CID90496484
Molecular FormulaC14H12N2O2S2
Molecular Weight304.40 g/mol
Exact Mass304.03
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylethyl)-1,3-benzothiazole-2-carboxamide
SMILESO=C(NCC(O)c1ccsc1)c1nc2ccccc2s1
InChIInChI=1S/C14H12N2O2S2/c17-11(9-5-6-19-8-9)7-15-13(18)14-16-10-3-1-2-4-12(10)20-14/h1-6,8,11,17H,7H2,(H,15,18)
InChIKeyMXQZXILIHGUESY-UHFFFAOYSA-N
XLogP2.82
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1,3-benzothiazole-2-carboxamide
CID 100724754
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]-1,3-benzothiazole-2-carboxamide
CID 119099543
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-1,3-benzothiazole-2-carboxamide
CID 2377381
[(1S)-2-(1,3-benzothiazole-2-carbonylamino)-1-phenylethyl]-dimethylazanium
CID 2377380
N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide
CID 122162281
N-[(5-thiophen-3-ylfuran-2-yl)methyl]-1,3-benzothiazole-2-carboxamide
CID 121019236
3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-phenylpropanamide;hydrochloride
CID 119798622
1-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)naphthalene-2-carboxamide
CID 111441757
N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide
CID 103686115
N-(2-hydroxy-2-thiophen-3-ylethyl)-1,2-oxazole-3-carboxamide
CID 103686497
1,3-benzothiazol-2-yl(thiophen-3-yl)methanone
CID 102192370
2-(2-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686234

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-1,3-benzothiazole-2-carboxamide (CID 90496484) is N-(2-hydroxy-2-thiophen-3-ylethyl)-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylethyl)-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylethyl)-1,3-benzothiazole-2-carboxamide is O=C(NCC(O)c1ccsc1)c1nc2ccccc2s1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylethyl)-1,3-benzothiazole-2-carboxamide?
The InChIKey is MXQZXILIHGUESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S2/c17-11(9-5-6-19-8-9)7-15-13(18)14-16-10-3-1-2-4-12(10)20-14/h1-6,8,11,17H,7H2,(H,15,18).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylethyl)-1,3-benzothiazole-2-carboxamide?
N-(2-hydroxy-2-thiophen-3-ylethyl)-1,3-benzothiazole-2-carboxamide has a molecular weight of 304.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylethyl)-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 90496484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).