N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-ethyl-1,3-thiazol-2-amine

C20H23N3OS — CID 86250340

IUPACN-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1csc(Nc2cccnc2Oc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C20H23N3OS/c1-5-14-13-25-19(22-14)23-16-10-8-12-21-18(16)24-17-11-7-6-9-15(17)20(2,3)4/h6-13H,5H2,1-4H3,(H,22,23)
InChIKeyJFLAQBLXNWYSHS-UHFFFAOYSA-N
MW353.49 g/mol
LogP5.93
Rot. Bonds5

About N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-ethyl-1,3-thiazol-2-amine

N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-ethyl-1,3-thiazol-2-amine (PubChem CID 86250340) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-ethyl-1,3-thiazol-2-amine
PubChem CID86250340
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC NameN-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1csc(Nc2cccnc2Oc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C20H23N3OS/c1-5-14-13-25-19(22-14)23-16-10-8-12-21-18(16)24-17-11-7-6-9-15(17)20(2,3)4/h6-13H,5H2,1-4H3,(H,22,23)
InChIKeyJFLAQBLXNWYSHS-UHFFFAOYSA-N
XLogP5.93
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.49
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-ethyl-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-ethyl-1,3-thiazol-2-amine (CID 86250340) is N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-ethyl-1,3-thiazol-2-amine is CCc1csc(Nc2cccnc2Oc2ccccc2C(C)(C)C)n1.
What is the InChIKey of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-ethyl-1,3-thiazol-2-amine?
The InChIKey is JFLAQBLXNWYSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-5-14-13-25-19(22-14)23-16-10-8-12-21-18(16)24-17-11-7-6-9-15(17)20(2,3)4/h6-13H,5H2,1-4H3,(H,22,23).
What are the key properties of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-ethyl-1,3-thiazol-2-amine?
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-ethyl-1,3-thiazol-2-amine has a molecular weight of 353.49 g/mol, XLogP of 5.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 86250340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).