methyl 2-[[2-methyl-6-[4-(2-phenylmethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylate

C23H28N6O3S — CID 89258369

IUPACmethyl 2-[[2-methyl-6-[4-(2-phenylmethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(Nc2cc(N3CCN(CCOCc4ccccc4)CC3)nc(C)n2)s1
InChIInChI=1S/C23H28N6O3S/c1-17-25-20(27-23-24-15-19(33-23)22(30)31-2)14-21(26-17)29-10-8-28(9-11-29)12-13-32-16-18-6-4-3-5-7-18/h3-7,14-15H,8-13,16H2,1-2H3,(H,24,25,26,27)
InChIKeyUJVFDFXHEXHUQQ-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.11
Rot. Bonds9

About methyl 2-[[2-methyl-6-[4-(2-phenylmethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylate

methyl 2-[[2-methyl-6-[4-(2-phenylmethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 89258369) has the molecular formula C23H28N6O3S and a molecular weight of 468.58 g/mol. Its IUPAC name is methyl 2-[[2-methyl-6-[4-(2-phenylmethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-methyl-6-[4-(2-phenylmethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylate
PubChem CID89258369
Molecular FormulaC23H28N6O3S
Molecular Weight468.58 g/mol
Exact Mass468.19
IUPAC Namemethyl 2-[[2-methyl-6-[4-(2-phenylmethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(Nc2cc(N3CCN(CCOCc4ccccc4)CC3)nc(C)n2)s1
InChIInChI=1S/C23H28N6O3S/c1-17-25-20(27-23-24-15-19(33-23)22(30)31-2)14-21(26-17)29-10-8-28(9-11-29)12-13-32-16-18-6-4-3-5-7-18/h3-7,14-15H,8-13,16H2,1-2H3,(H,24,25,26,27)
InChIKeyUJVFDFXHEXHUQQ-UHFFFAOYSA-N
XLogP3.11
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 2-[[2-methyl-6-[4-(2-phenylmethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-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

propan-2-yl 2-[[2-methyl-6-[4-(2-phenylmethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylate
CID 89258364
ethyl 2-[[6-[4-(2-acetyloxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylate
CID 89258500
2-(2-chloro-6-methylphenyl)-1-[2-[[6-[4-[2-[2-[2-[2-[2-[2-[4-[6-[[5-[2-(2-chloro-6-methylphenyl)acetyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethanone
CID 160895485
2-[[6-[4-(2-diethoxyphosphorylethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid
CID 25118706
N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[4-[2-(methylaminomethoxy)ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 144687997
2-[4-[2-methyl-6-[[5-(2-methylpropanoyloxy)-1,3-thiazol-2-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethyl benzoate
CID 89258595
2-[4-[6-[[5-[(2,6-dimethylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethyl N-methylcarbamate
CID 144687998
N-(2-chloro-6-methylphenyl)-2-[[6-[4-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 123321796
N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[4-[2-(2-methylpropoxy)ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 139482965
2-(2,6-difluorophenyl)-1-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethanone
CID 158140685
N-(2,6-difluorophenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 135359167
2-[2-[[6-[4-[2-(1-ethoxyethoxy)ethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]acetic acid
CID 174599787

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-methyl-6-[4-(2-phenylmethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[[2-methyl-6-[4-(2-phenylmethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylate (CID 89258369) is methyl 2-[[2-methyl-6-[4-(2-phenylmethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[[2-methyl-6-[4-(2-phenylmethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[[2-methyl-6-[4-(2-phenylmethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(Nc2cc(N3CCN(CCOCc4ccccc4)CC3)nc(C)n2)s1.
What is the InChIKey of methyl 2-[[2-methyl-6-[4-(2-phenylmethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is UJVFDFXHEXHUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3S/c1-17-25-20(27-23-24-15-19(33-23)22(30)31-2)14-21(26-17)29-10-8-28(9-11-29)12-13-32-16-18-6-4-3-5-7-18/h3-7,14-15H,8-13,16H2,1-2H3,(H,24,25,26,27).
What are the key properties of methyl 2-[[2-methyl-6-[4-(2-phenylmethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylate?
methyl 2-[[2-methyl-6-[4-(2-phenylmethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 468.58 g/mol, XLogP of 3.11, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-methyl-6-[4-(2-phenylmethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 89258369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).