5-methyl-3-(3-methylphenyl)thieno[2,3-d][1,2]oxazol-6-amine

C13H12N2OS — CID 82385652

IUPAC5-methyl-3-(3-methylphenyl)thieno[2,3-d][1,2]oxazol-6-amine
SMILESCc1cccc(-c2noc3c(N)c(C)sc23)c1
InChIInChI=1S/C13H12N2OS/c1-7-4-3-5-9(6-7)11-13-12(16-15-11)10(14)8(2)17-13/h3-6H,14H2,1-2H3
InChIKeyZFVGXPPWBDIYSK-UHFFFAOYSA-N
MW244.32 g/mol
LogP3.76
Rot. Bonds1

About 5-methyl-3-(3-methylphenyl)thieno[2,3-d][1,2]oxazol-6-amine

5-methyl-3-(3-methylphenyl)thieno[2,3-d][1,2]oxazol-6-amine (PubChem CID 82385652) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is 5-methyl-3-(3-methylphenyl)thieno[2,3-d][1,2]oxazol-6-amine.

Molecular Properties

Compound Name5-methyl-3-(3-methylphenyl)thieno[2,3-d][1,2]oxazol-6-amine
PubChem CID82385652
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name5-methyl-3-(3-methylphenyl)thieno[2,3-d][1,2]oxazol-6-amine
SMILESCc1cccc(-c2noc3c(N)c(C)sc23)c1
InChIInChI=1S/C13H12N2OS/c1-7-4-3-5-9(6-7)11-13-12(16-15-11)10(14)8(2)17-13/h3-6H,14H2,1-2H3
InChIKeyZFVGXPPWBDIYSK-UHFFFAOYSA-N
XLogP3.76
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4,5-dimethyl-1,3-oxazol-2-yl)-5-methylthieno[2,3-d][1,2]oxazol-6-amine
CID 82383110
3-(3-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 62471073
4-(3-methylphenyl)-3-phenyl-1,2-oxazol-5-amine
CID 62829774
3-(5-bromothiophen-2-yl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62829426
3-(3-methoxyphenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62829950
4-(3-methylphenyl)-2-phenyl-1,3-thiazol-5-amine
CID 55034297
2-(3-methylphenyl)-1,3-benzothiazol-7-amine
CID 82231870
4-(3-methylphenyl)-3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine
CID 62831172
3-(4-chlorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62829610
3-(4-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62829957
4-ethyl-5-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66198631
6-fluoro-3-(3-methylphenyl)-1,2-benzoxazole
CID 142050356

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(3-methylphenyl)thieno[2,3-d][1,2]oxazol-6-amine?
The IUPAC name of 5-methyl-3-(3-methylphenyl)thieno[2,3-d][1,2]oxazol-6-amine (CID 82385652) is 5-methyl-3-(3-methylphenyl)thieno[2,3-d][1,2]oxazol-6-amine.
What is the SMILES notation for 5-methyl-3-(3-methylphenyl)thieno[2,3-d][1,2]oxazol-6-amine?
The canonical SMILES for 5-methyl-3-(3-methylphenyl)thieno[2,3-d][1,2]oxazol-6-amine is Cc1cccc(-c2noc3c(N)c(C)sc23)c1.
What is the InChIKey of 5-methyl-3-(3-methylphenyl)thieno[2,3-d][1,2]oxazol-6-amine?
The InChIKey is ZFVGXPPWBDIYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c1-7-4-3-5-9(6-7)11-13-12(16-15-11)10(14)8(2)17-13/h3-6H,14H2,1-2H3.
What are the key properties of 5-methyl-3-(3-methylphenyl)thieno[2,3-d][1,2]oxazol-6-amine?
5-methyl-3-(3-methylphenyl)thieno[2,3-d][1,2]oxazol-6-amine has a molecular weight of 244.32 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(3-methylphenyl)thieno[2,3-d][1,2]oxazol-6-amine is sourced from PubChem (CID 82385652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).