N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine

C14H14N2OS2 — CID 103275563

IUPACN-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine
SMILESCc1cnc(CNCc2cc(-c3cccs3)cs2)o1
InChIInChI=1S/C14H14N2OS2/c1-10-6-16-14(17-10)8-15-7-12-5-11(9-19-12)13-3-2-4-18-13/h2-6,9,15H,7-8H2,1H3
InChIKeyHUBVXSNNZLBQBZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.06
Rot. Bonds5

About N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine (PubChem CID 103275563) has the molecular formula C14H14N2OS2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine
PubChem CID103275563
Molecular FormulaC14H14N2OS2
Molecular Weight290.41 g/mol
Exact Mass290.05
IUPAC NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine
SMILESCc1cnc(CNCc2cc(-c3cccs3)cs2)o1
InChIInChI=1S/C14H14N2OS2/c1-10-6-16-14(17-10)8-15-7-12-5-11(9-19-12)13-3-2-4-18-13/h2-6,9,15H,7-8H2,1H3
InChIKeyHUBVXSNNZLBQBZ-UHFFFAOYSA-N
XLogP4.06
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine?
The IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine (CID 103275563) is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine is Cc1cnc(CNCc2cc(-c3cccs3)cs2)o1.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine?
The InChIKey is HUBVXSNNZLBQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS2/c1-10-6-16-14(17-10)8-15-7-12-5-11(9-19-12)13-3-2-4-18-13/h2-6,9,15H,7-8H2,1H3.
What are the key properties of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine?
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine has a molecular weight of 290.41 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine is sourced from PubChem (CID 103275563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).