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

C12H11N3OS — CID 66372909

IUPAC2-[4-(1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]ethanamine
SMILESNCCc1nc(-c2nc3ccccc3o2)cs1
InChIInChI=1S/C12H11N3OS/c13-6-5-11-14-9(7-17-11)12-15-8-3-1-2-4-10(8)16-12/h1-4,7H,5-6,13H2
InChIKeyTURBQOWCRAAVRL-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.45
Rot. Bonds3

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

2-[4-(1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 66372909) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 2-[4-(1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]ethanamine
PubChem CID66372909
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name2-[4-(1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]ethanamine
SMILESNCCc1nc(-c2nc3ccccc3o2)cs1
InChIInChI=1S/C12H11N3OS/c13-6-5-11-14-9(7-17-11)12-15-8-3-1-2-4-10(8)16-12/h1-4,7H,5-6,13H2
InChIKeyTURBQOWCRAAVRL-UHFFFAOYSA-N
XLogP2.45
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[4-(1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]ethanamine (CID 66372909) is 2-[4-(1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-(1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]ethanamine is NCCc1nc(-c2nc3ccccc3o2)cs1.
What is the InChIKey of 2-[4-(1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is TURBQOWCRAAVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c13-6-5-11-14-9(7-17-11)12-15-8-3-1-2-4-10(8)16-12/h1-4,7H,5-6,13H2.
What are the key properties of 2-[4-(1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]ethanamine?
2-[4-(1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 245.31 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 66372909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).