4-[(E)-2-(2-methyl-1,3-oxazol-4-yl)ethenyl]-1,3-thiazol-2-amine

C9H9N3OS — CID 169049114

IUPAC4-[(E)-2-(2-methyl-1,3-oxazol-4-yl)ethenyl]-1,3-thiazol-2-amine
SMILESCc1nc(/C=C/c2csc(N)n2)co1
InChIInChI=1S/C9H9N3OS/c1-6-11-7(4-13-6)2-3-8-5-14-9(10)12-8/h2-5H,1H3,(H2,10,12)/b3-2+
InChIKeyUHOMCVNXHWSILH-NSCUHMNNSA-N
MW207.26 g/mol
LogP2.19
Rot. Bonds2

About 4-[(E)-2-(2-methyl-1,3-oxazol-4-yl)ethenyl]-1,3-thiazol-2-amine

4-[(E)-2-(2-methyl-1,3-oxazol-4-yl)ethenyl]-1,3-thiazol-2-amine (PubChem CID 169049114) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 4-[(E)-2-(2-methyl-1,3-oxazol-4-yl)ethenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(E)-2-(2-methyl-1,3-oxazol-4-yl)ethenyl]-1,3-thiazol-2-amine
PubChem CID169049114
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name4-[(E)-2-(2-methyl-1,3-oxazol-4-yl)ethenyl]-1,3-thiazol-2-amine
SMILESCc1nc(/C=C/c2csc(N)n2)co1
InChIInChI=1S/C9H9N3OS/c1-6-11-7(4-13-6)2-3-8-5-14-9(10)12-8/h2-5H,1H3,(H2,10,12)/b3-2+
InChIKeyUHOMCVNXHWSILH-NSCUHMNNSA-N
XLogP2.19
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(2-methyl-1,3-oxazol-4-yl)ethenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(E)-2-(2-methyl-1,3-oxazol-4-yl)ethenyl]-1,3-thiazol-2-amine (CID 169049114) is 4-[(E)-2-(2-methyl-1,3-oxazol-4-yl)ethenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(E)-2-(2-methyl-1,3-oxazol-4-yl)ethenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(E)-2-(2-methyl-1,3-oxazol-4-yl)ethenyl]-1,3-thiazol-2-amine is Cc1nc(/C=C/c2csc(N)n2)co1.
What is the InChIKey of 4-[(E)-2-(2-methyl-1,3-oxazol-4-yl)ethenyl]-1,3-thiazol-2-amine?
The InChIKey is UHOMCVNXHWSILH-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-6-11-7(4-13-6)2-3-8-5-14-9(10)12-8/h2-5H,1H3,(H2,10,12)/b3-2+.
What are the key properties of 4-[(E)-2-(2-methyl-1,3-oxazol-4-yl)ethenyl]-1,3-thiazol-2-amine?
4-[(E)-2-(2-methyl-1,3-oxazol-4-yl)ethenyl]-1,3-thiazol-2-amine has a molecular weight of 207.26 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(2-methyl-1,3-oxazol-4-yl)ethenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 169049114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).