2-(5-methyl-1,3-benzoxazol-2-yl)thiophen-3-amine

C12H10N2OS — CID 60919181

IUPAC2-(5-methyl-1,3-benzoxazol-2-yl)thiophen-3-amine
SMILESCc1ccc2oc(-c3sccc3N)nc2c1
InChIInChI=1S/C12H10N2OS/c1-7-2-3-10-9(6-7)14-12(15-10)11-8(13)4-5-16-11/h2-6H,13H2,1H3
InChIKeyGWDWMHCARPNXPD-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.45
Rot. Bonds1

About 2-(5-methyl-1,3-benzoxazol-2-yl)thiophen-3-amine

2-(5-methyl-1,3-benzoxazol-2-yl)thiophen-3-amine (PubChem CID 60919181) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-(5-methyl-1,3-benzoxazol-2-yl)thiophen-3-amine.

Molecular Properties

Compound Name2-(5-methyl-1,3-benzoxazol-2-yl)thiophen-3-amine
PubChem CID60919181
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name2-(5-methyl-1,3-benzoxazol-2-yl)thiophen-3-amine
SMILESCc1ccc2oc(-c3sccc3N)nc2c1
InChIInChI=1S/C12H10N2OS/c1-7-2-3-10-9(6-7)14-12(15-10)11-8(13)4-5-16-11/h2-6H,13H2,1H3
InChIKeyGWDWMHCARPNXPD-UHFFFAOYSA-N
XLogP3.45
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133
2-(3-bromothiophen-2-yl)-1,3-benzoxazol-5-amine
CID 63797921
2-[3,6-dimethyl-5-(5-methyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5-methyl-1,3-benzoxazole
CID 58028282
2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)aniline
CID 735973
2-(3,5-dimethylphenyl)-5-methyl-1,3-benzoxazole
CID 46089200
2-[4-[3,5-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-5-methyl-1,3-benzoxazole
CID 22960109
5-methyl-2-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 950413
2-(3,5-dibromo-4-methylphenyl)-5-methyl-1,3-benzoxazole
CID 50880177
2-(5-amino-1,3-benzoxazol-2-yl)-5-(5-methyl-1,3-benzoxazol-2-yl)benzene-1,4-diol
CID 157482621
2-(1,5-dimethylbenzimidazol-2-yl)thiophen-3-amine
CID 60785137
5-methoxy-2-(5-methyl-1,3-benzoxazol-2-yl)aniline
CID 115411925
2-(2,3-dimethylphenyl)-5-methyl-1,3-benzoxazole
CID 46089234

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3-benzoxazol-2-yl)thiophen-3-amine?
The IUPAC name of 2-(5-methyl-1,3-benzoxazol-2-yl)thiophen-3-amine (CID 60919181) is 2-(5-methyl-1,3-benzoxazol-2-yl)thiophen-3-amine.
What is the SMILES notation for 2-(5-methyl-1,3-benzoxazol-2-yl)thiophen-3-amine?
The canonical SMILES for 2-(5-methyl-1,3-benzoxazol-2-yl)thiophen-3-amine is Cc1ccc2oc(-c3sccc3N)nc2c1.
What is the InChIKey of 2-(5-methyl-1,3-benzoxazol-2-yl)thiophen-3-amine?
The InChIKey is GWDWMHCARPNXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c1-7-2-3-10-9(6-7)14-12(15-10)11-8(13)4-5-16-11/h2-6H,13H2,1H3.
What are the key properties of 2-(5-methyl-1,3-benzoxazol-2-yl)thiophen-3-amine?
2-(5-methyl-1,3-benzoxazol-2-yl)thiophen-3-amine has a molecular weight of 230.29 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3-benzoxazol-2-yl)thiophen-3-amine is sourced from PubChem (CID 60919181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).