methyl 3-amino-2-cyano-7-methyl-5-(4-phenylmethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C23H20N4O3S — CID 4663258

IUPACmethyl 3-amino-2-cyano-7-methyl-5-(4-phenylmethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2C1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H20N4O3S/c1-14-19(22(28)29-2)20(27-21(25)18(12-24)31-23(27)26-14)16-8-10-17(11-9-16)30-13-15-6-4-3-5-7-15/h3-11,20H,13,25H2,1-2H3
InChIKeyJQADFBCXWKQGIS-UHFFFAOYSA-N
MW432.51 g/mol
LogP3.82
Rot. Bonds5

About methyl 3-amino-2-cyano-7-methyl-5-(4-phenylmethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

methyl 3-amino-2-cyano-7-methyl-5-(4-phenylmethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 4663258) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is methyl 3-amino-2-cyano-7-methyl-5-(4-phenylmethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-2-cyano-7-methyl-5-(4-phenylmethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
PubChem CID4663258
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC Namemethyl 3-amino-2-cyano-7-methyl-5-(4-phenylmethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2C1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H20N4O3S/c1-14-19(22(28)29-2)20(27-21(25)18(12-24)31-23(27)26-14)16-8-10-17(11-9-16)30-13-15-6-4-3-5-7-15/h3-11,20H,13,25H2,1-2H3
InChIKeyJQADFBCXWKQGIS-UHFFFAOYSA-N
XLogP3.82
TPSA100.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 3-amino-2-cyano-7-methyl-5-(4-phenylmethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate 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

ethyl 2-[(2-acetyloxyphenyl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 3114706
methyl 3-amino-2-cyano-5-(4-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 4414752
6-(4-methoxyphenyl)-8-methyl-4-oxo-6H-pyrimido[2,1-b][1,3]thiazine-2,7-dicarboxylic acid O7-ethyl ester O2-methyl ester
CID 4918332
{4-[(6-(ethoxycarbonyl)-5-(4-isopropoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]phenoxy}acetic acid
CID 6111088
3-amino-2-cyano-5-(3-methoxyphenyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid methyl ester
CID 11840887
(4S)-1-ethyl-6-methyl-2-(p-anisylamino)-4-phenyl-4H-pyrimidine-5-carboxylic acid methyl ester
CID 135693560
Methyl 2-[6-(ethoxycarbonyl)-5-(4-methoxyphenyl)-7-methyl-3-oxo-4,5-dihydro-1, 3-thiazolidino[3,2-a]pyrimidin-2-ylidene]acetate
CID 5310874
Ethyl 4-(4-(benzyloxy)phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2872313
Ethyl 5-(4-methoxyphenyl)-2,7-dimethyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxylate
CID 2873350
ethyl 6-[4-(benzyloxy)phenyl]-8-methyl-4-oxo-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
CID 4690579
2-methylpropyl 6-[4-(benzyloxy)phenyl]-8-methyl-4-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
CID 3334404
4-(4-Methoxy-phenyl)-6-methyl-2-methylsulfanyl-1,4-dihydro-pyrimidine-5-carboxylic acid ethyl ester
CID 9549363

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-cyano-7-methyl-5-(4-phenylmethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The IUPAC name of methyl 3-amino-2-cyano-7-methyl-5-(4-phenylmethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 4663258) is methyl 3-amino-2-cyano-7-methyl-5-(4-phenylmethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 3-amino-2-cyano-7-methyl-5-(4-phenylmethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 3-amino-2-cyano-7-methyl-5-(4-phenylmethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2C1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of methyl 3-amino-2-cyano-7-methyl-5-(4-phenylmethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The InChIKey is JQADFBCXWKQGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-14-19(22(28)29-2)20(27-21(25)18(12-24)31-23(27)26-14)16-8-10-17(11-9-16)30-13-15-6-4-3-5-7-15/h3-11,20H,13,25H2,1-2H3.
What are the key properties of methyl 3-amino-2-cyano-7-methyl-5-(4-phenylmethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
methyl 3-amino-2-cyano-7-methyl-5-(4-phenylmethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 432.51 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-cyano-7-methyl-5-(4-phenylmethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 4663258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).