3-methyl-6-[4-(methylamino)-1,3-thiazol-2-yl]-1,3-benzoxazol-2-one

C12H11N3O2S — CID 116864462

IUPAC3-methyl-6-[4-(methylamino)-1,3-thiazol-2-yl]-1,3-benzoxazol-2-one
SMILESCNc1csc(-c2ccc3c(c2)oc(=O)n3C)n1
InChIInChI=1S/C12H11N3O2S/c1-13-10-6-18-11(14-10)7-3-4-8-9(5-7)17-12(16)15(8)2/h3-6,13H,1-2H3
InChIKeyPHFNVFIXJOZAEJ-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.30
Rot. Bonds2

About 3-methyl-6-[4-(methylamino)-1,3-thiazol-2-yl]-1,3-benzoxazol-2-one

3-methyl-6-[4-(methylamino)-1,3-thiazol-2-yl]-1,3-benzoxazol-2-one (PubChem CID 116864462) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is 3-methyl-6-[4-(methylamino)-1,3-thiazol-2-yl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-methyl-6-[4-(methylamino)-1,3-thiazol-2-yl]-1,3-benzoxazol-2-one
PubChem CID116864462
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC Name3-methyl-6-[4-(methylamino)-1,3-thiazol-2-yl]-1,3-benzoxazol-2-one
SMILESCNc1csc(-c2ccc3c(c2)oc(=O)n3C)n1
InChIInChI=1S/C12H11N3O2S/c1-13-10-6-18-11(14-10)7-3-4-8-9(5-7)17-12(16)15(8)2/h3-6,13H,1-2H3
InChIKeyPHFNVFIXJOZAEJ-UHFFFAOYSA-N
XLogP2.30
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-amino-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one
CID 28913193
6-(2-hydrazinyl-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one
CID 116967996
6-[2-(aminomethyl)-1,3-thiazol-4-yl]-3-methyl-1,3-benzoxazol-2-one
CID 82090470
3-methyl-6-(2-oxo-3H-1,3-thiazol-4-yl)-1,3-benzoxazol-2-one
CID 116966116
6-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-benzoxazol-2-one
CID 154843667
3-methyl-6-[2-(3-methylanilino)-1,3-thiazol-4-yl]-1,3-benzoxazol-2-one
CID 47092547
6-(2,6-dimethylpyrimidin-4-yl)-3-methyl-1,3-benzoxazol-2-one
CID 116896986
6-(2-amino-5-methyl-1,3-oxazol-4-yl)-3-methyl-1,3-benzoxazol-2-one
CID 116831863
N-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-amine
CID 71013426
3-methyl-6-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-2-one
CID 116926141
6-chloro-3-methyl-1,3-benzoxazol-2-one
CID 843790
3-methyl-6-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazol-2-one
CID 53139261

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[4-(methylamino)-1,3-thiazol-2-yl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-methyl-6-[4-(methylamino)-1,3-thiazol-2-yl]-1,3-benzoxazol-2-one (CID 116864462) is 3-methyl-6-[4-(methylamino)-1,3-thiazol-2-yl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-methyl-6-[4-(methylamino)-1,3-thiazol-2-yl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-methyl-6-[4-(methylamino)-1,3-thiazol-2-yl]-1,3-benzoxazol-2-one is CNc1csc(-c2ccc3c(c2)oc(=O)n3C)n1.
What is the InChIKey of 3-methyl-6-[4-(methylamino)-1,3-thiazol-2-yl]-1,3-benzoxazol-2-one?
The InChIKey is PHFNVFIXJOZAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c1-13-10-6-18-11(14-10)7-3-4-8-9(5-7)17-12(16)15(8)2/h3-6,13H,1-2H3.
What are the key properties of 3-methyl-6-[4-(methylamino)-1,3-thiazol-2-yl]-1,3-benzoxazol-2-one?
3-methyl-6-[4-(methylamino)-1,3-thiazol-2-yl]-1,3-benzoxazol-2-one has a molecular weight of 261.31 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[4-(methylamino)-1,3-thiazol-2-yl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 116864462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).