4-[(2-tert-butylphenoxy)methyl]-1,3-thiazol-2-amine

C14H18N2OS — CID 43137858

IUPAC4-[(2-tert-butylphenoxy)methyl]-1,3-thiazol-2-amine
SMILESCC(C)(C)c1ccccc1OCc1csc(N)n1
InChIInChI=1S/C14H18N2OS/c1-14(2,3)11-6-4-5-7-12(11)17-8-10-9-18-13(15)16-10/h4-7,9H,8H2,1-3H3,(H2,15,16)
InChIKeyXCJYRGOWUDOJFU-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.60
Rot. Bonds3

About 4-[(2-tert-butylphenoxy)methyl]-1,3-thiazol-2-amine

4-[(2-tert-butylphenoxy)methyl]-1,3-thiazol-2-amine (PubChem CID 43137858) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 4-[(2-tert-butylphenoxy)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(2-tert-butylphenoxy)methyl]-1,3-thiazol-2-amine
PubChem CID43137858
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name4-[(2-tert-butylphenoxy)methyl]-1,3-thiazol-2-amine
SMILESCC(C)(C)c1ccccc1OCc1csc(N)n1
InChIInChI=1S/C14H18N2OS/c1-14(2,3)11-6-4-5-7-12(11)17-8-10-9-18-13(15)16-10/h4-7,9H,8H2,1-3H3,(H2,15,16)
InChIKeyXCJYRGOWUDOJFU-UHFFFAOYSA-N
XLogP3.60
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-tert-butylphenoxy)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(2-tert-butylphenoxy)methyl]-1,3-thiazol-2-amine (CID 43137858) is 4-[(2-tert-butylphenoxy)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(2-tert-butylphenoxy)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(2-tert-butylphenoxy)methyl]-1,3-thiazol-2-amine is CC(C)(C)c1ccccc1OCc1csc(N)n1.
What is the InChIKey of 4-[(2-tert-butylphenoxy)methyl]-1,3-thiazol-2-amine?
The InChIKey is XCJYRGOWUDOJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-14(2,3)11-6-4-5-7-12(11)17-8-10-9-18-13(15)16-10/h4-7,9H,8H2,1-3H3,(H2,15,16).
What are the key properties of 4-[(2-tert-butylphenoxy)methyl]-1,3-thiazol-2-amine?
4-[(2-tert-butylphenoxy)methyl]-1,3-thiazol-2-amine has a molecular weight of 262.38 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-tert-butylphenoxy)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 43137858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).