(2S)-1-N-[5-[2-[(4-methoxyphenoxy)methyl]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide

C23H26N6O4S — CID 42647217

IUPAC(2S)-1-N-[5-[2-[(4-methoxyphenoxy)methyl]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide
SMILESCOc1ccc(OCc2nccc(-c3sc(NC(=O)N4CCC[C@@]4(C)C(N)=O)nc3C)n2)cc1
InChIInChI=1S/C23H26N6O4S/c1-14-19(34-21(26-14)28-22(31)29-12-4-10-23(29,2)20(24)30)17-9-11-25-18(27-17)13-33-16-7-5-15(32-3)6-8-16/h5-9,11H,4,10,12-13H2,1-3H3,(H2,24,30)(H,26,28,31)/t23-/m0/s1
InChIKeyYVSOTZQHPGLUKQ-QHCPKHFHSA-N
MW482.57 g/mol
LogP3.37
Rot. Bonds7

About (2S)-1-N-[5-[2-[(4-methoxyphenoxy)methyl]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide

(2S)-1-N-[5-[2-[(4-methoxyphenoxy)methyl]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide (PubChem CID 42647217) has the molecular formula C23H26N6O4S and a molecular weight of 482.57 g/mol. Its IUPAC name is (2S)-1-N-[5-[2-[(4-methoxyphenoxy)methyl]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-1-N-[5-[2-[(4-methoxyphenoxy)methyl]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide
PubChem CID42647217
Molecular FormulaC23H26N6O4S
Molecular Weight482.57 g/mol
Exact Mass482.17
IUPAC Name(2S)-1-N-[5-[2-[(4-methoxyphenoxy)methyl]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide
SMILESCOc1ccc(OCc2nccc(-c3sc(NC(=O)N4CCC[C@@]4(C)C(N)=O)nc3C)n2)cc1
InChIInChI=1S/C23H26N6O4S/c1-14-19(34-21(26-14)28-22(31)29-12-4-10-23(29,2)20(24)30)17-9-11-25-18(27-17)13-33-16-7-5-15(32-3)6-8-16/h5-9,11H,4,10,12-13H2,1-3H3,(H2,24,30)(H,26,28,31)/t23-/m0/s1
InChIKeyYVSOTZQHPGLUKQ-QHCPKHFHSA-N
XLogP3.37
TPSA132.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.57
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2S)-1-N-[5-[2-[(4-methoxyphenoxy)methyl]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide 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 (2S)-1-N-[5-[2-[(4-methoxyphenoxy)methyl]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-1-N-[5-[2-[(4-methoxyphenoxy)methyl]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide (CID 42647217) is (2S)-1-N-[5-[2-[(4-methoxyphenoxy)methyl]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-1-N-[5-[2-[(4-methoxyphenoxy)methyl]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-1-N-[5-[2-[(4-methoxyphenoxy)methyl]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide is COc1ccc(OCc2nccc(-c3sc(NC(=O)N4CCC[C@@]4(C)C(N)=O)nc3C)n2)cc1.
What is the InChIKey of (2S)-1-N-[5-[2-[(4-methoxyphenoxy)methyl]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide?
The InChIKey is YVSOTZQHPGLUKQ-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H26N6O4S/c1-14-19(34-21(26-14)28-22(31)29-12-4-10-23(29,2)20(24)30)17-9-11-25-18(27-17)13-33-16-7-5-15(32-3)6-8-16/h5-9,11H,4,10,12-13H2,1-3H3,(H2,24,30)(H,26,28,31)/t23-/m0/s1.
What are the key properties of (2S)-1-N-[5-[2-[(4-methoxyphenoxy)methyl]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide?
(2S)-1-N-[5-[2-[(4-methoxyphenoxy)methyl]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide has a molecular weight of 482.57 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-[5-[2-[(4-methoxyphenoxy)methyl]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 42647217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).