2-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,3-thiazole

C19H21N5OS — CID 126767686

IUPAC2-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,3-thiazole
SMILESCOc1ccnc(N2CCN(Cc3ncc(-c4ccccc4)s3)CC2)n1
InChIInChI=1S/C19H21N5OS/c1-25-17-7-8-20-19(22-17)24-11-9-23(10-12-24)14-18-21-13-16(26-18)15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3
InChIKeyCSYGALNBTFNEBW-UHFFFAOYSA-N
MW367.48 g/mol
LogP2.93
Rot. Bonds5

About 2-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,3-thiazole

2-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,3-thiazole (PubChem CID 126767686) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is 2-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,3-thiazole
PubChem CID126767686
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name2-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,3-thiazole
SMILESCOc1ccnc(N2CCN(Cc3ncc(-c4ccccc4)s3)CC2)n1
InChIInChI=1S/C19H21N5OS/c1-25-17-7-8-20-19(22-17)24-11-9-23(10-12-24)14-18-21-13-16(26-18)15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3
InChIKeyCSYGALNBTFNEBW-UHFFFAOYSA-N
XLogP2.93
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,3-thiazole 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 2-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,3-thiazole?
The IUPAC name of 2-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,3-thiazole (CID 126767686) is 2-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,3-thiazole.
What is the SMILES notation for 2-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,3-thiazole?
The canonical SMILES for 2-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,3-thiazole is COc1ccnc(N2CCN(Cc3ncc(-c4ccccc4)s3)CC2)n1.
What is the InChIKey of 2-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,3-thiazole?
The InChIKey is CSYGALNBTFNEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-25-17-7-8-20-19(22-17)24-11-9-23(10-12-24)14-18-21-13-16(26-18)15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 2-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,3-thiazole?
2-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,3-thiazole has a molecular weight of 367.48 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,3-thiazole is sourced from PubChem (CID 126767686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).