[4-(1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]methanamine

C11H9N3OS — CID 66380723

IUPAC[4-(1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(-c2nc3ccccc3o2)cs1
InChIInChI=1S/C11H9N3OS/c12-5-10-13-8(6-16-10)11-14-7-3-1-2-4-9(7)15-11/h1-4,6H,5,12H2
InChIKeyNHGNUMIQCDVANA-UHFFFAOYSA-N
MW231.28 g/mol
LogP2.41
Rot. Bonds2

About [4-(1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]methanamine

[4-(1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]methanamine (PubChem CID 66380723) has the molecular formula C11H9N3OS and a molecular weight of 231.28 g/mol. Its IUPAC name is [4-(1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]methanamine
PubChem CID66380723
Molecular FormulaC11H9N3OS
Molecular Weight231.28 g/mol
Exact Mass231.05
IUPAC Name[4-(1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(-c2nc3ccccc3o2)cs1
InChIInChI=1S/C11H9N3OS/c12-5-10-13-8(6-16-10)11-14-7-3-1-2-4-9(7)15-11/h1-4,6H,5,12H2
InChIKeyNHGNUMIQCDVANA-UHFFFAOYSA-N
XLogP2.41
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-(1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]methanamine (CID 66380723) is [4-(1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-(1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-(1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]methanamine is NCc1nc(-c2nc3ccccc3o2)cs1.
What is the InChIKey of [4-(1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is NHGNUMIQCDVANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS/c12-5-10-13-8(6-16-10)11-14-7-3-1-2-4-9(7)15-11/h1-4,6H,5,12H2.
What are the key properties of [4-(1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]methanamine?
[4-(1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 231.28 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 66380723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).