4-[4-tert-butyl-6-(methoxymethyl)pyrimidin-2-yl]-2-methyl-1,3-thiazole

C14H19N3OS — CID 59743792

IUPAC4-[4-tert-butyl-6-(methoxymethyl)pyrimidin-2-yl]-2-methyl-1,3-thiazole
SMILESCOCc1cc(C(C)(C)C)nc(-c2csc(C)n2)n1
InChIInChI=1S/C14H19N3OS/c1-9-15-11(8-19-9)13-16-10(7-18-5)6-12(17-13)14(2,3)4/h6,8H,7H2,1-5H3
InChIKeyROQKXXKSINZVFB-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.35
Rot. Bonds3

About 4-[4-tert-butyl-6-(methoxymethyl)pyrimidin-2-yl]-2-methyl-1,3-thiazole

4-[4-tert-butyl-6-(methoxymethyl)pyrimidin-2-yl]-2-methyl-1,3-thiazole (PubChem CID 59743792) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-[4-tert-butyl-6-(methoxymethyl)pyrimidin-2-yl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[4-tert-butyl-6-(methoxymethyl)pyrimidin-2-yl]-2-methyl-1,3-thiazole
PubChem CID59743792
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name4-[4-tert-butyl-6-(methoxymethyl)pyrimidin-2-yl]-2-methyl-1,3-thiazole
SMILESCOCc1cc(C(C)(C)C)nc(-c2csc(C)n2)n1
InChIInChI=1S/C14H19N3OS/c1-9-15-11(8-19-9)13-16-10(7-18-5)6-12(17-13)14(2,3)4/h6,8H,7H2,1-5H3
InChIKeyROQKXXKSINZVFB-UHFFFAOYSA-N
XLogP3.35
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[4-tert-butyl-6-(methoxymethyl)pyrimidin-2-yl]-2-methyl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-tert-butyl-6-(methoxymethyl)pyrimidin-2-yl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[4-tert-butyl-6-(methoxymethyl)pyrimidin-2-yl]-2-methyl-1,3-thiazole (CID 59743792) is 4-[4-tert-butyl-6-(methoxymethyl)pyrimidin-2-yl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[4-tert-butyl-6-(methoxymethyl)pyrimidin-2-yl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[4-tert-butyl-6-(methoxymethyl)pyrimidin-2-yl]-2-methyl-1,3-thiazole is COCc1cc(C(C)(C)C)nc(-c2csc(C)n2)n1.
What is the InChIKey of 4-[4-tert-butyl-6-(methoxymethyl)pyrimidin-2-yl]-2-methyl-1,3-thiazole?
The InChIKey is ROQKXXKSINZVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-9-15-11(8-19-9)13-16-10(7-18-5)6-12(17-13)14(2,3)4/h6,8H,7H2,1-5H3.
What are the key properties of 4-[4-tert-butyl-6-(methoxymethyl)pyrimidin-2-yl]-2-methyl-1,3-thiazole?
4-[4-tert-butyl-6-(methoxymethyl)pyrimidin-2-yl]-2-methyl-1,3-thiazole has a molecular weight of 277.39 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-tert-butyl-6-(methoxymethyl)pyrimidin-2-yl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 59743792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).