N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]-1,3-benzothiazole-6-carboxamide

C15H14N2O3S — CID 99876364

IUPACN-[(2R)-2-(furan-2-yl)-2-methoxyethyl]-1,3-benzothiazole-6-carboxamide
SMILESCO[C@H](CNC(=O)c1ccc2ncsc2c1)c1ccco1
InChIInChI=1S/C15H14N2O3S/c1-19-13(12-3-2-6-20-12)8-16-15(18)10-4-5-11-14(7-10)21-9-17-11/h2-7,9,13H,8H2,1H3,(H,16,18)/t13-/m1/s1
InChIKeyRNZOMLJUSGUMQM-CYBMUJFWSA-N
MW302.36 g/mol
LogP3.01
Rot. Bonds5

About N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]-1,3-benzothiazole-6-carboxamide

N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 99876364) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(furan-2-yl)-2-methoxyethyl]-1,3-benzothiazole-6-carboxamide
PubChem CID99876364
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC NameN-[(2R)-2-(furan-2-yl)-2-methoxyethyl]-1,3-benzothiazole-6-carboxamide
SMILESCO[C@H](CNC(=O)c1ccc2ncsc2c1)c1ccco1
InChIInChI=1S/C15H14N2O3S/c1-19-13(12-3-2-6-20-12)8-16-15(18)10-4-5-11-14(7-10)21-9-17-11/h2-7,9,13H,8H2,1H3,(H,16,18)/t13-/m1/s1
InChIKeyRNZOMLJUSGUMQM-CYBMUJFWSA-N
XLogP3.01
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(furan-2-yl)-2-methoxyethyl]-4-methylbenzamide
CID 121145461
1,3-benzothiazole-6-carboxylic acid;methyl 2-amino-3-(1,3-benzothiazole-6-carbonylamino)propanoate
CID 159851298
N-[2-(furan-2-yl)-2-methoxyethyl]-3-nitrobenzamide
CID 121145495
N-(2-amino-2-methylpropyl)-1,3-benzothiazole-6-carboxamide
CID 23111144
methyl N-[2-(furan-2-yl)-2-methoxyethyl]carbamate
CID 121145445
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 1,3-benzothiazole-6-carboxylate
CID 2161767
N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide
CID 114618628
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-benzothiazole-6-carboxamide
CID 51114210
N-but-2-ynyl-1,3-benzothiazole-6-carboxamide;ethane
CID 143657790
N-(2-methoxy-2-phenylbutyl)-1,3-benzothiazole-6-carboxamide
CID 90599506
N-(2-ethyl-2-hydroxybutyl)-1,3-benzothiazole-6-carboxamide
CID 65112231
N-[3-(2-methoxyphenyl)prop-2-ynyl]-1,3-benzothiazole-6-carboxamide
CID 90549139

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]-1,3-benzothiazole-6-carboxamide (CID 99876364) is N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]-1,3-benzothiazole-6-carboxamide is CO[C@H](CNC(=O)c1ccc2ncsc2c1)c1ccco1.
What is the InChIKey of N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is RNZOMLJUSGUMQM-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-19-13(12-3-2-6-20-12)8-16-15(18)10-4-5-11-14(7-10)21-9-17-11/h2-7,9,13H,8H2,1H3,(H,16,18)/t13-/m1/s1.
What are the key properties of N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]-1,3-benzothiazole-6-carboxamide?
N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 99876364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).