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

C18H15N3O2S — CID 47092547

IUPAC3-methyl-6-[2-(3-methylanilino)-1,3-thiazol-4-yl]-1,3-benzoxazol-2-one
SMILESCc1cccc(Nc2nc(-c3ccc4c(c3)oc(=O)n4C)cs2)c1
InChIInChI=1S/C18H15N3O2S/c1-11-4-3-5-13(8-11)19-17-20-14(10-24-17)12-6-7-15-16(9-12)23-18(22)21(15)2/h3-10H,1-2H3,(H,19,20)
InChIKeyWZMYJAXJEXUFEQ-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.31
Rot. Bonds3

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

3-methyl-6-[2-(3-methylanilino)-1,3-thiazol-4-yl]-1,3-benzoxazol-2-one (PubChem CID 47092547) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is 3-methyl-6-[2-(3-methylanilino)-1,3-thiazol-4-yl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-methyl-6-[2-(3-methylanilino)-1,3-thiazol-4-yl]-1,3-benzoxazol-2-one
PubChem CID47092547
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name3-methyl-6-[2-(3-methylanilino)-1,3-thiazol-4-yl]-1,3-benzoxazol-2-one
SMILESCc1cccc(Nc2nc(-c3ccc4c(c3)oc(=O)n4C)cs2)c1
InChIInChI=1S/C18H15N3O2S/c1-11-4-3-5-13(8-11)19-17-20-14(10-24-17)12-6-7-15-16(9-12)23-18(22)21(15)2/h3-10H,1-2H3,(H,19,20)
InChIKeyWZMYJAXJEXUFEQ-UHFFFAOYSA-N
XLogP4.31
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-hydrazinyl-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one
CID 116967996
4-(3,4-dimethylphenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 873210
4-(4-iodophenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 560642
6-(2-amino-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one
CID 28913193
6-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-benzoxazol-2-one
CID 154843667
6-[2-(aminomethyl)-1,3-thiazol-4-yl]-3-methyl-1,3-benzoxazol-2-one
CID 82090470
6-(2-anilino-1,3-thiazol-4-yl)-2,3-dimethylchromen-4-one
CID 86032331
8-methoxy-3-[2-(3-methylanilino)-1,3-thiazol-4-yl]chromen-2-one
CID 1108270
N-[3-[2-(3-methylanilino)-1,3-thiazol-4-yl]phenyl]thiophene-2-carboxamide
CID 5039153
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 112813687
3-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]phenol
CID 873220
6-(2,6-dimethylpyrimidin-4-yl)-3-methyl-1,3-benzoxazol-2-one
CID 116896986

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[2-(3-methylanilino)-1,3-thiazol-4-yl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-methyl-6-[2-(3-methylanilino)-1,3-thiazol-4-yl]-1,3-benzoxazol-2-one (CID 47092547) is 3-methyl-6-[2-(3-methylanilino)-1,3-thiazol-4-yl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-methyl-6-[2-(3-methylanilino)-1,3-thiazol-4-yl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-methyl-6-[2-(3-methylanilino)-1,3-thiazol-4-yl]-1,3-benzoxazol-2-one is Cc1cccc(Nc2nc(-c3ccc4c(c3)oc(=O)n4C)cs2)c1.
What is the InChIKey of 3-methyl-6-[2-(3-methylanilino)-1,3-thiazol-4-yl]-1,3-benzoxazol-2-one?
The InChIKey is WZMYJAXJEXUFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c1-11-4-3-5-13(8-11)19-17-20-14(10-24-17)12-6-7-15-16(9-12)23-18(22)21(15)2/h3-10H,1-2H3,(H,19,20).
What are the key properties of 3-methyl-6-[2-(3-methylanilino)-1,3-thiazol-4-yl]-1,3-benzoxazol-2-one?
3-methyl-6-[2-(3-methylanilino)-1,3-thiazol-4-yl]-1,3-benzoxazol-2-one has a molecular weight of 337.40 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[2-(3-methylanilino)-1,3-thiazol-4-yl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 47092547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).