N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]acetamide

C14H12N2O2S — CID 46456159

IUPACN-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C14H12N2O2S/c1-9(17)15-8-10-6-7-12(18-10)14-16-11-4-2-3-5-13(11)19-14/h2-7H,8H2,1H3,(H,15,17)
InChIKeyRQHSPPINEYOHGS-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.19
Rot. Bonds3

About N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]acetamide

N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]acetamide (PubChem CID 46456159) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]acetamide
PubChem CID46456159
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC NameN-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C14H12N2O2S/c1-9(17)15-8-10-6-7-12(18-10)14-16-11-4-2-3-5-13(11)19-14/h2-7H,8H2,1H3,(H,15,17)
InChIKeyRQHSPPINEYOHGS-UHFFFAOYSA-N
XLogP3.19
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]pentanamide
CID 120559538
1-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892932
1-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-tert-butyl-2-methylguanidine
CID 110965982
1-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]cyclohexane-1-carboxamide
CID 119275805
1-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-tert-butyl-2-methylguanidine;hydroiodide
CID 110965981
1-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119275804
2,2,2-trifluoroethyl N-[2-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylamino]-2-oxoethyl]carbamate
CID 78905322
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-(3-fluorophenyl)acetamide
CID 24586235
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 55485370
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-methoxy-5-methylbenzamide
CID 55490227
5-(benzenesulfonylmethyl)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]furan-2-carboxamide
CID 55489815
2-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylamino]butan-1-ol
CID 43215803

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]acetamide (CID 46456159) is N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]acetamide is CC(=O)NCc1ccc(-c2nc3ccccc3s2)o1.
What is the InChIKey of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]acetamide?
The InChIKey is RQHSPPINEYOHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-9(17)15-8-10-6-7-12(18-10)14-16-11-4-2-3-5-13(11)19-14/h2-7H,8H2,1H3,(H,15,17).
What are the key properties of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]acetamide?
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]acetamide has a molecular weight of 272.33 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]acetamide is sourced from PubChem (CID 46456159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).