4-[2-(4-methylphenoxy)ethyl]-1,3-thiazol-2-amine

C12H14N2OS — CID 2050018

IUPAC4-[2-(4-methylphenoxy)ethyl]-1,3-thiazol-2-amine
SMILESCc1ccc(OCCc2csc(N)n2)cc1
InChIInChI=1S/C12H14N2OS/c1-9-2-4-11(5-3-9)15-7-6-10-8-16-12(13)14-10/h2-5,8H,6-7H2,1H3,(H2,13,14)
InChIKeyZTHKWCQRDBYRIB-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.66
Rot. Bonds4

About 4-[2-(4-methylphenoxy)ethyl]-1,3-thiazol-2-amine

4-[2-(4-methylphenoxy)ethyl]-1,3-thiazol-2-amine (PubChem CID 2050018) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 4-[2-(4-methylphenoxy)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(4-methylphenoxy)ethyl]-1,3-thiazol-2-amine
PubChem CID2050018
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name4-[2-(4-methylphenoxy)ethyl]-1,3-thiazol-2-amine
SMILESCc1ccc(OCCc2csc(N)n2)cc1
InChIInChI=1S/C12H14N2OS/c1-9-2-4-11(5-3-9)15-7-6-10-8-16-12(13)14-10/h2-5,8H,6-7H2,1H3,(H2,13,14)
InChIKeyZTHKWCQRDBYRIB-UHFFFAOYSA-N
XLogP2.66
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylphenoxy)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(4-methylphenoxy)ethyl]-1,3-thiazol-2-amine (CID 2050018) is 4-[2-(4-methylphenoxy)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(4-methylphenoxy)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(4-methylphenoxy)ethyl]-1,3-thiazol-2-amine is Cc1ccc(OCCc2csc(N)n2)cc1.
What is the InChIKey of 4-[2-(4-methylphenoxy)ethyl]-1,3-thiazol-2-amine?
The InChIKey is ZTHKWCQRDBYRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-9-2-4-11(5-3-9)15-7-6-10-8-16-12(13)14-10/h2-5,8H,6-7H2,1H3,(H2,13,14).
What are the key properties of 4-[2-(4-methylphenoxy)ethyl]-1,3-thiazol-2-amine?
4-[2-(4-methylphenoxy)ethyl]-1,3-thiazol-2-amine has a molecular weight of 234.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylphenoxy)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 2050018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).