4-(2-methyl-1,3-benzoxazol-6-yl)-3H-1,3-thiazol-2-one

C11H8N2O2S — CID 116966109

IUPAC4-(2-methyl-1,3-benzoxazol-6-yl)-3H-1,3-thiazol-2-one
SMILESCc1nc2ccc(-c3csc(=O)[nH]3)cc2o1
InChIInChI=1S/C11H8N2O2S/c1-6-12-8-3-2-7(4-10(8)15-6)9-5-16-11(14)13-9/h2-5H,1H3,(H,13,14)
InChIKeyBUXGSQXXCDDSGI-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.55
Rot. Bonds1

About 4-(2-methyl-1,3-benzoxazol-6-yl)-3H-1,3-thiazol-2-one

4-(2-methyl-1,3-benzoxazol-6-yl)-3H-1,3-thiazol-2-one (PubChem CID 116966109) has the molecular formula C11H8N2O2S and a molecular weight of 232.26 g/mol. Its IUPAC name is 4-(2-methyl-1,3-benzoxazol-6-yl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(2-methyl-1,3-benzoxazol-6-yl)-3H-1,3-thiazol-2-one
PubChem CID116966109
Molecular FormulaC11H8N2O2S
Molecular Weight232.26 g/mol
Exact Mass232.03
IUPAC Name4-(2-methyl-1,3-benzoxazol-6-yl)-3H-1,3-thiazol-2-one
SMILESCc1nc2ccc(-c3csc(=O)[nH]3)cc2o1
InChIInChI=1S/C11H8N2O2S/c1-6-12-8-3-2-7(4-10(8)15-6)9-5-16-11(14)13-9/h2-5H,1H3,(H,13,14)
InChIKeyBUXGSQXXCDDSGI-UHFFFAOYSA-N
XLogP2.55
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-benzoxazol-6-yl)-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(2-methyl-1,3-benzoxazol-6-yl)-3H-1,3-thiazol-2-one (CID 116966109) is 4-(2-methyl-1,3-benzoxazol-6-yl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(2-methyl-1,3-benzoxazol-6-yl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(2-methyl-1,3-benzoxazol-6-yl)-3H-1,3-thiazol-2-one is Cc1nc2ccc(-c3csc(=O)[nH]3)cc2o1.
What is the InChIKey of 4-(2-methyl-1,3-benzoxazol-6-yl)-3H-1,3-thiazol-2-one?
The InChIKey is BUXGSQXXCDDSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2S/c1-6-12-8-3-2-7(4-10(8)15-6)9-5-16-11(14)13-9/h2-5H,1H3,(H,13,14).
What are the key properties of 4-(2-methyl-1,3-benzoxazol-6-yl)-3H-1,3-thiazol-2-one?
4-(2-methyl-1,3-benzoxazol-6-yl)-3H-1,3-thiazol-2-one has a molecular weight of 232.26 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-benzoxazol-6-yl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 116966109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).