1-(2,5-dimethylthiophen-3-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine

C13H18N2OS — CID 103275145

IUPAC1-(2,5-dimethylthiophen-3-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCCc1cnc(CNCc2cc(C)sc2C)o1
InChIInChI=1S/C13H18N2OS/c1-4-12-7-15-13(16-12)8-14-6-11-5-9(2)17-10(11)3/h5,7,14H,4,6,8H2,1-3H3
InChIKeyADQRYWMRYIZXRU-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.21
Rot. Bonds5

About 1-(2,5-dimethylthiophen-3-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine

1-(2,5-dimethylthiophen-3-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine (PubChem CID 103275145) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
PubChem CID103275145
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCCc1cnc(CNCc2cc(C)sc2C)o1
InChIInChI=1S/C13H18N2OS/c1-4-12-7-15-13(16-12)8-14-6-11-5-9(2)17-10(11)3/h5,7,14H,4,6,8H2,1-3H3
InChIKeyADQRYWMRYIZXRU-UHFFFAOYSA-N
XLogP3.21
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine (CID 103275145) is 1-(2,5-dimethylthiophen-3-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine is CCc1cnc(CNCc2cc(C)sc2C)o1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
The InChIKey is ADQRYWMRYIZXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-4-12-7-15-13(16-12)8-14-6-11-5-9(2)17-10(11)3/h5,7,14H,4,6,8H2,1-3H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
1-(2,5-dimethylthiophen-3-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine has a molecular weight of 250.37 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine is sourced from PubChem (CID 103275145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).