4-(1,3-benzoxazol-2-ylmethyl)-1,3-thiazol-2-amine

C11H9N3OS — CID 15752390

IUPAC4-(1,3-benzoxazol-2-ylmethyl)-1,3-thiazol-2-amine
SMILESNc1nc(Cc2nc3ccccc3o2)cs1
InChIInChI=1S/C11H9N3OS/c12-11-13-7(6-16-11)5-10-14-8-3-1-2-4-9(8)15-10/h1-4,6H,5H2,(H2,12,13)
InChIKeyHQPNLBLNRUSEHI-UHFFFAOYSA-N
MW231.28 g/mol
LogP2.46
Rot. Bonds2

About 4-(1,3-benzoxazol-2-ylmethyl)-1,3-thiazol-2-amine

4-(1,3-benzoxazol-2-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 15752390) has the molecular formula C11H9N3OS and a molecular weight of 231.28 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-2-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1,3-benzoxazol-2-ylmethyl)-1,3-thiazol-2-amine
PubChem CID15752390
Molecular FormulaC11H9N3OS
Molecular Weight231.28 g/mol
Exact Mass231.05
IUPAC Name4-(1,3-benzoxazol-2-ylmethyl)-1,3-thiazol-2-amine
SMILESNc1nc(Cc2nc3ccccc3o2)cs1
InChIInChI=1S/C11H9N3OS/c12-11-13-7(6-16-11)5-10-14-8-3-1-2-4-9(8)15-10/h1-4,6H,5H2,(H2,12,13)
InChIKeyHQPNLBLNRUSEHI-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
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-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1,3-benzoxazol-2-ylmethyl)-1,3-thiazol-2-amine (CID 15752390) is 4-(1,3-benzoxazol-2-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1,3-benzoxazol-2-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1,3-benzoxazol-2-ylmethyl)-1,3-thiazol-2-amine is Nc1nc(Cc2nc3ccccc3o2)cs1.
What is the InChIKey of 4-(1,3-benzoxazol-2-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is HQPNLBLNRUSEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS/c12-11-13-7(6-16-11)5-10-14-8-3-1-2-4-9(8)15-10/h1-4,6H,5H2,(H2,12,13).
What are the key properties of 4-(1,3-benzoxazol-2-ylmethyl)-1,3-thiazol-2-amine?
4-(1,3-benzoxazol-2-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 231.28 g/mol, XLogP of 2.46, 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-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 15752390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).