4-(4-methoxy-6-methylpyrimidin-2-yl)-2-methyl-1,3-thiazole

C10H11N3OS — CID 2745334

IUPAC4-(4-methoxy-6-methylpyrimidin-2-yl)-2-methyl-1,3-thiazole
SMILESCOc1cc(C)nc(-c2csc(C)n2)n1
InChIInChI=1S/C10H11N3OS/c1-6-4-9(14-3)13-10(11-6)8-5-15-7(2)12-8/h4-5H,1-3H3
InChIKeyXONAKBGATPKFCJ-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.23
Rot. Bonds2

About 4-(4-methoxy-6-methylpyrimidin-2-yl)-2-methyl-1,3-thiazole

4-(4-methoxy-6-methylpyrimidin-2-yl)-2-methyl-1,3-thiazole (PubChem CID 2745334) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is 4-(4-methoxy-6-methylpyrimidin-2-yl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-methoxy-6-methylpyrimidin-2-yl)-2-methyl-1,3-thiazole
PubChem CID2745334
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC Name4-(4-methoxy-6-methylpyrimidin-2-yl)-2-methyl-1,3-thiazole
SMILESCOc1cc(C)nc(-c2csc(C)n2)n1
InChIInChI=1S/C10H11N3OS/c1-6-4-9(14-3)13-10(11-6)8-5-15-7(2)12-8/h4-5H,1-3H3
InChIKeyXONAKBGATPKFCJ-UHFFFAOYSA-N
XLogP2.23
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-6-methylpyrimidin-2-yl)-2-methyl-1,3-thiazole?
The IUPAC name of 4-(4-methoxy-6-methylpyrimidin-2-yl)-2-methyl-1,3-thiazole (CID 2745334) is 4-(4-methoxy-6-methylpyrimidin-2-yl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-(4-methoxy-6-methylpyrimidin-2-yl)-2-methyl-1,3-thiazole?
The canonical SMILES for 4-(4-methoxy-6-methylpyrimidin-2-yl)-2-methyl-1,3-thiazole is COc1cc(C)nc(-c2csc(C)n2)n1.
What is the InChIKey of 4-(4-methoxy-6-methylpyrimidin-2-yl)-2-methyl-1,3-thiazole?
The InChIKey is XONAKBGATPKFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-6-4-9(14-3)13-10(11-6)8-5-15-7(2)12-8/h4-5H,1-3H3.
What are the key properties of 4-(4-methoxy-6-methylpyrimidin-2-yl)-2-methyl-1,3-thiazole?
4-(4-methoxy-6-methylpyrimidin-2-yl)-2-methyl-1,3-thiazole has a molecular weight of 221.28 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-6-methylpyrimidin-2-yl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 2745334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).