4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-amine

C12H14N2OS — CID 4205579

IUPAC4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCCc1ccc(OC)c(-c2csc(N)n2)c1
InChIInChI=1S/C12H14N2OS/c1-3-8-4-5-11(15-2)9(6-8)10-7-16-12(13)14-10/h4-7H,3H2,1-2H3,(H2,13,14)
InChIKeyDEYAQVTUHVQVMG-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.96
Rot. Bonds3

About 4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-amine

4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 4205579) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-amine
PubChem CID4205579
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCCc1ccc(OC)c(-c2csc(N)n2)c1
InChIInChI=1S/C12H14N2OS/c1-3-8-4-5-11(15-2)9(6-8)10-7-16-12(13)14-10/h4-7H,3H2,1-2H3,(H2,13,14)
InChIKeyDEYAQVTUHVQVMG-UHFFFAOYSA-N
XLogP2.96
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-amine (CID 4205579) is 4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-amine is CCc1ccc(OC)c(-c2csc(N)n2)c1.
What is the InChIKey of 4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is DEYAQVTUHVQVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-3-8-4-5-11(15-2)9(6-8)10-7-16-12(13)14-10/h4-7H,3H2,1-2H3,(H2,13,14).
What are the key properties of 4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-amine?
4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 234.32 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 4205579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).