N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-thiophen-2-ylethanamine

C12H16N2OS — CID 103893462

IUPACN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-thiophen-2-ylethanamine
SMILESCc1cnc(C(C)NC(C)c2cccs2)o1
InChIInChI=1S/C12H16N2OS/c1-8-7-13-12(15-8)10(3)14-9(2)11-5-4-6-16-11/h4-7,9-10,14H,1-3H3
InChIKeyFGGXFJAPARUNGP-UHFFFAOYSA-N
MW236.34 g/mol
LogP3.46
Rot. Bonds4

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

N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-thiophen-2-ylethanamine (PubChem CID 103893462) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-thiophen-2-ylethanamine
PubChem CID103893462
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-thiophen-2-ylethanamine
SMILESCc1cnc(C(C)NC(C)c2cccs2)o1
InChIInChI=1S/C12H16N2OS/c1-8-7-13-12(15-8)10(3)14-9(2)11-5-4-6-16-11/h4-7,9-10,14H,1-3H3
InChIKeyFGGXFJAPARUNGP-UHFFFAOYSA-N
XLogP3.46
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-thiophen-2-ylethanamine?
The IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-thiophen-2-ylethanamine (CID 103893462) is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-thiophen-2-ylethanamine is Cc1cnc(C(C)NC(C)c2cccs2)o1.
What is the InChIKey of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-thiophen-2-ylethanamine?
The InChIKey is FGGXFJAPARUNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-8-7-13-12(15-8)10(3)14-9(2)11-5-4-6-16-11/h4-7,9-10,14H,1-3H3.
What are the key properties of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-thiophen-2-ylethanamine?
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-thiophen-2-ylethanamine has a molecular weight of 236.34 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 103893462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).