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

C15H17N3OS2 — CID 56784899

IUPAC1-(2-ethyl-1,3-thiazol-4-yl)-N-methyl-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCCc1nc(CN(C)Cc2ncc(-c3cccs3)o2)cs1
InChIInChI=1S/C15H17N3OS2/c1-3-15-17-11(10-21-15)8-18(2)9-14-16-7-12(19-14)13-5-4-6-20-13/h4-7,10H,3,8-9H2,1-2H3
InChIKeyWVTIGGUMQCOANB-UHFFFAOYSA-N
MW319.46 g/mol
LogP4.05
Rot. Bonds6

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

1-(2-ethyl-1,3-thiazol-4-yl)-N-methyl-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine (PubChem CID 56784899) has the molecular formula C15H17N3OS2 and a molecular weight of 319.46 g/mol. Its IUPAC name is 1-(2-ethyl-1,3-thiazol-4-yl)-N-methyl-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-ethyl-1,3-thiazol-4-yl)-N-methyl-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine
PubChem CID56784899
Molecular FormulaC15H17N3OS2
Molecular Weight319.46 g/mol
Exact Mass319.08
IUPAC Name1-(2-ethyl-1,3-thiazol-4-yl)-N-methyl-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCCc1nc(CN(C)Cc2ncc(-c3cccs3)o2)cs1
InChIInChI=1S/C15H17N3OS2/c1-3-15-17-11(10-21-15)8-18(2)9-14-16-7-12(19-14)13-5-4-6-20-13/h4-7,10H,3,8-9H2,1-2H3
InChIKeyWVTIGGUMQCOANB-UHFFFAOYSA-N
XLogP4.05
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.46
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1,3-thiazol-4-yl)-N-methyl-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(2-ethyl-1,3-thiazol-4-yl)-N-methyl-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine (CID 56784899) is 1-(2-ethyl-1,3-thiazol-4-yl)-N-methyl-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-ethyl-1,3-thiazol-4-yl)-N-methyl-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2-ethyl-1,3-thiazol-4-yl)-N-methyl-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine is CCc1nc(CN(C)Cc2ncc(-c3cccs3)o2)cs1.
What is the InChIKey of 1-(2-ethyl-1,3-thiazol-4-yl)-N-methyl-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine?
The InChIKey is WVTIGGUMQCOANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS2/c1-3-15-17-11(10-21-15)8-18(2)9-14-16-7-12(19-14)13-5-4-6-20-13/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of 1-(2-ethyl-1,3-thiazol-4-yl)-N-methyl-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine?
1-(2-ethyl-1,3-thiazol-4-yl)-N-methyl-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine has a molecular weight of 319.46 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1,3-thiazol-4-yl)-N-methyl-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine is sourced from PubChem (CID 56784899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).