4-ethyl-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine

C9H11N3OS — CID 130804857

IUPAC4-ethyl-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine
SMILESCCc1csc(NCc2cocn2)n1
InChIInChI=1S/C9H11N3OS/c1-2-7-5-14-9(12-7)10-3-8-4-13-6-11-8/h4-6H,2-3H2,1H3,(H,10,12)
InChIKeyXTHMNQSAGIFGHD-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.31
Rot. Bonds4

About 4-ethyl-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine

4-ethyl-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 130804857) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 4-ethyl-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine
PubChem CID130804857
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name4-ethyl-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine
SMILESCCc1csc(NCc2cocn2)n1
InChIInChI=1S/C9H11N3OS/c1-2-7-5-14-9(12-7)10-3-8-4-13-6-11-8/h4-6H,2-3H2,1H3,(H,10,12)
InChIKeyXTHMNQSAGIFGHD-UHFFFAOYSA-N
XLogP2.31
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine (CID 130804857) is 4-ethyl-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine is CCc1csc(NCc2cocn2)n1.
What is the InChIKey of 4-ethyl-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is XTHMNQSAGIFGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-2-7-5-14-9(12-7)10-3-8-4-13-6-11-8/h4-6H,2-3H2,1H3,(H,10,12).
What are the key properties of 4-ethyl-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine?
4-ethyl-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 209.27 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 130804857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).