7-ethoxy-5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidine

C14H13N3OS — CID 118733052

IUPAC7-ethoxy-5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidine
SMILESCCOc1nc(C)nc2sc(-c3ccccc3)nc12
InChIInChI=1S/C14H13N3OS/c1-3-18-12-11-14(16-9(2)15-12)19-13(17-11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKeyODVHSZITJRSKFJ-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.46
Rot. Bonds3

About 7-ethoxy-5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidine

7-ethoxy-5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidine (PubChem CID 118733052) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 7-ethoxy-5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name7-ethoxy-5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidine
PubChem CID118733052
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name7-ethoxy-5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidine
SMILESCCOc1nc(C)nc2sc(-c3ccccc3)nc12
InChIInChI=1S/C14H13N3OS/c1-3-18-12-11-14(16-9(2)15-12)19-13(17-11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKeyODVHSZITJRSKFJ-UHFFFAOYSA-N
XLogP3.46
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-ethoxy-5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

7-ethoxy-5-methylthiadiazolo[5,4-d]pyrimidine
CID 4154842
8-methyl-2-phenyl-[1,3]thiazolo[5,4-h][1,6]naphthyridine
CID 155813842
N'-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 55616426
4-methoxy-2,5-diphenyl-1,3-thiazole
CID 15691804
5-methoxy-4-methyl-2-phenyl-1,3-thiazole
CID 116887501
2-(4-ethoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole
CID 116887536
2,5-diphenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 155543719
2-methyl-4-phenylmethoxythieno[2,3-d]pyrimidine
CID 175578608
4-ethoxy-5-methyl-2,6-diphenylpyrimidine
CID 10946202
4-iodo-7-methyl-2-phenyl-1,3-benzothiazole
CID 163427383
ethyl 4-(2-oxopropoxy)-2-phenyl-1,3-thiazole-5-carboxylate
CID 20855145
ethyl 2,5-diphenyl-1,3-thiazole-4-carboxylate
CID 11001366

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidine?
The IUPAC name of 7-ethoxy-5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidine (CID 118733052) is 7-ethoxy-5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidine.
What is the SMILES notation for 7-ethoxy-5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidine?
The canonical SMILES for 7-ethoxy-5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidine is CCOc1nc(C)nc2sc(-c3ccccc3)nc12.
What is the InChIKey of 7-ethoxy-5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidine?
The InChIKey is ODVHSZITJRSKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-3-18-12-11-14(16-9(2)15-12)19-13(17-11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3.
What are the key properties of 7-ethoxy-5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidine?
7-ethoxy-5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidine has a molecular weight of 271.35 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidine is sourced from PubChem (CID 118733052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).