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

C12H10N2OS — CID 7131963

IUPAC[5-(1,3-benzothiazol-2-yl)furan-2-yl]methanamine
SMILESNCc1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C12H10N2OS/c13-7-8-5-6-10(15-8)12-14-9-3-1-2-4-11(9)16-12/h1-6H,7,13H2
InChIKeyGQCOQKCMXKBKIE-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.02
Rot. Bonds2

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

[5-(1,3-benzothiazol-2-yl)furan-2-yl]methanamine (PubChem CID 7131963) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is [5-(1,3-benzothiazol-2-yl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(1,3-benzothiazol-2-yl)furan-2-yl]methanamine
PubChem CID7131963
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name[5-(1,3-benzothiazol-2-yl)furan-2-yl]methanamine
SMILESNCc1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C12H10N2OS/c13-7-8-5-6-10(15-8)12-14-9-3-1-2-4-11(9)16-12/h1-6H,7,13H2
InChIKeyGQCOQKCMXKBKIE-UHFFFAOYSA-N
XLogP3.02
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(1,3-benzothiazol-2-yl)furan-2-yl]methanamine?
The IUPAC name of [5-(1,3-benzothiazol-2-yl)furan-2-yl]methanamine (CID 7131963) is [5-(1,3-benzothiazol-2-yl)furan-2-yl]methanamine.
What is the SMILES notation for [5-(1,3-benzothiazol-2-yl)furan-2-yl]methanamine?
The canonical SMILES for [5-(1,3-benzothiazol-2-yl)furan-2-yl]methanamine is NCc1ccc(-c2nc3ccccc3s2)o1.
What is the InChIKey of [5-(1,3-benzothiazol-2-yl)furan-2-yl]methanamine?
The InChIKey is GQCOQKCMXKBKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c13-7-8-5-6-10(15-8)12-14-9-3-1-2-4-11(9)16-12/h1-6H,7,13H2.
What are the key properties of [5-(1,3-benzothiazol-2-yl)furan-2-yl]methanamine?
[5-(1,3-benzothiazol-2-yl)furan-2-yl]methanamine has a molecular weight of 230.29 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,3-benzothiazol-2-yl)furan-2-yl]methanamine is sourced from PubChem (CID 7131963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).