2-(5-tert-butyl-2-methylphenoxy)-1,3-thiazole-4-carboxamide

C15H18N2O2S — CID 91025274

IUPAC2-(5-tert-butyl-2-methylphenoxy)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(C(C)(C)C)cc1Oc1nc(C(N)=O)cs1
InChIInChI=1S/C15H18N2O2S/c1-9-5-6-10(15(2,3)4)7-12(9)19-14-17-11(8-20-14)13(16)18/h5-8H,1-4H3,(H2,16,18)
InChIKeyWQTBWMGJLHZSJT-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.64
Rot. Bonds3

About 2-(5-tert-butyl-2-methylphenoxy)-1,3-thiazole-4-carboxamide

2-(5-tert-butyl-2-methylphenoxy)-1,3-thiazole-4-carboxamide (PubChem CID 91025274) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-methylphenoxy)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(5-tert-butyl-2-methylphenoxy)-1,3-thiazole-4-carboxamide
PubChem CID91025274
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-(5-tert-butyl-2-methylphenoxy)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(C(C)(C)C)cc1Oc1nc(C(N)=O)cs1
InChIInChI=1S/C15H18N2O2S/c1-9-5-6-10(15(2,3)4)7-12(9)19-14-17-11(8-20-14)13(16)18/h5-8H,1-4H3,(H2,16,18)
InChIKeyWQTBWMGJLHZSJT-UHFFFAOYSA-N
XLogP3.64
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2-methylphenoxy)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(5-tert-butyl-2-methylphenoxy)-1,3-thiazole-4-carboxamide (CID 91025274) is 2-(5-tert-butyl-2-methylphenoxy)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(5-tert-butyl-2-methylphenoxy)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(5-tert-butyl-2-methylphenoxy)-1,3-thiazole-4-carboxamide is Cc1ccc(C(C)(C)C)cc1Oc1nc(C(N)=O)cs1.
What is the InChIKey of 2-(5-tert-butyl-2-methylphenoxy)-1,3-thiazole-4-carboxamide?
The InChIKey is WQTBWMGJLHZSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-9-5-6-10(15(2,3)4)7-12(9)19-14-17-11(8-20-14)13(16)18/h5-8H,1-4H3,(H2,16,18).
What are the key properties of 2-(5-tert-butyl-2-methylphenoxy)-1,3-thiazole-4-carboxamide?
2-(5-tert-butyl-2-methylphenoxy)-1,3-thiazole-4-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2-methylphenoxy)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 91025274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).