1-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-yl]ethanamine

C12H13N5OS — CID 114420028

IUPAC1-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-yl]ethanamine
SMILESCC(N)c1cn(Cc2cc(-c3cccs3)on2)nn1
InChIInChI=1S/C12H13N5OS/c1-8(13)10-7-17(16-14-10)6-9-5-11(18-15-9)12-3-2-4-19-12/h2-5,7-8H,6,13H2,1H3
InChIKeyCGDYTHGPHOHOQS-UHFFFAOYSA-N
MW275.34 g/mol
LogP2.06
Rot. Bonds4

About 1-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-yl]ethanamine

1-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-yl]ethanamine (PubChem CID 114420028) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is 1-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-yl]ethanamine
PubChem CID114420028
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC Name1-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-yl]ethanamine
SMILESCC(N)c1cn(Cc2cc(-c3cccs3)on2)nn1
InChIInChI=1S/C12H13N5OS/c1-8(13)10-7-17(16-14-10)6-9-5-11(18-15-9)12-3-2-4-19-12/h2-5,7-8H,6,13H2,1H3
InChIKeyCGDYTHGPHOHOQS-UHFFFAOYSA-N
XLogP2.06
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]triazol-4-yl]ethanamine
CID 114419689
1-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanol
CID 81444859
3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 8643011
1-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanamine
CID 114420053
1-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]triazol-4-yl]ethanamine
CID 114419873
1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]ethanamine
CID 114419523
1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]propan-1-amine
CID 106227470
[5-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 115486360
1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azetidin-3-ol
CID 63092006
1-methyl-3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4,5-trione
CID 17407840
3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 8871816
7-[[4-(1-aminoethyl)triazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 114419977

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-yl]ethanamine?
The IUPAC name of 1-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-yl]ethanamine (CID 114420028) is 1-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-yl]ethanamine?
The canonical SMILES for 1-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-yl]ethanamine is CC(N)c1cn(Cc2cc(-c3cccs3)on2)nn1.
What is the InChIKey of 1-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-yl]ethanamine?
The InChIKey is CGDYTHGPHOHOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS/c1-8(13)10-7-17(16-14-10)6-9-5-11(18-15-9)12-3-2-4-19-12/h2-5,7-8H,6,13H2,1H3.
What are the key properties of 1-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-yl]ethanamine?
1-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-yl]ethanamine has a molecular weight of 275.34 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-yl]ethanamine is sourced from PubChem (CID 114420028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).