2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]ethanamine

C13H12N2OS — CID 170888031

IUPAC2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]ethanamine
SMILESNCCc1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C13H12N2OS/c14-8-7-9-5-6-11(16-9)13-15-10-3-1-2-4-12(10)17-13/h1-6H,7-8,14H2
InChIKeyHRAVQCKFLPOLNE-UHFFFAOYSA-N
MW244.32 g/mol
LogP3.06
Rot. Bonds3

About 2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]ethanamine

2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]ethanamine (PubChem CID 170888031) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]ethanamine
PubChem CID170888031
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]ethanamine
SMILESNCCc1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C13H12N2OS/c14-8-7-9-5-6-11(16-9)13-15-10-3-1-2-4-12(10)17-13/h1-6H,7-8,14H2
InChIKeyHRAVQCKFLPOLNE-UHFFFAOYSA-N
XLogP3.06
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole
CID 854969
1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]propan-2-amine
CID 170891330
1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724345
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]acetamide
CID 46456159
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]prop-2-en-1-amine
CID 43215838
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 103933793
2-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylamino]butan-1-ol
CID 43215803
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-methylbutan-1-amine
CID 62693051
2-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3-benzothiazole
CID 16649177
1-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892932
4-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]pentanamide
CID 120559538
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
CID 119125348

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]ethanamine?
The IUPAC name of 2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]ethanamine (CID 170888031) is 2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]ethanamine?
The canonical SMILES for 2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]ethanamine is NCCc1ccc(-c2nc3ccccc3s2)o1.
What is the InChIKey of 2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]ethanamine?
The InChIKey is HRAVQCKFLPOLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c14-8-7-9-5-6-11(16-9)13-15-10-3-1-2-4-12(10)17-13/h1-6H,7-8,14H2.
What are the key properties of 2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]ethanamine?
2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]ethanamine has a molecular weight of 244.32 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]ethanamine is sourced from PubChem (CID 170888031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).