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

C24H28F3N3OS — CID 162251850

IUPAC4-(2-methoxypyrimidin-5-yl)-2-[[4-octyl-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole
SMILESCCCCCCCCc1ccc(Cc2nc(-c3cnc(OC)nc3)cs2)cc1C(F)(F)F
InChIInChI=1S/C24H28F3N3OS/c1-3-4-5-6-7-8-9-18-11-10-17(12-20(18)24(25,26)27)13-22-30-21(16-32-22)19-14-28-23(31-2)29-15-19/h10-12,14-16H,3-9,13H2,1-2H3
InChIKeyZYCBPQRIYDJVLV-UHFFFAOYSA-N
MW463.57 g/mol
LogP7.12
Rot. Bonds11

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

4-(2-methoxypyrimidin-5-yl)-2-[[4-octyl-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole (PubChem CID 162251850) has the molecular formula C24H28F3N3OS and a molecular weight of 463.57 g/mol. Its IUPAC name is 4-(2-methoxypyrimidin-5-yl)-2-[[4-octyl-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(2-methoxypyrimidin-5-yl)-2-[[4-octyl-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole
PubChem CID162251850
Molecular FormulaC24H28F3N3OS
Molecular Weight463.57 g/mol
Exact Mass463.19
IUPAC Name4-(2-methoxypyrimidin-5-yl)-2-[[4-octyl-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole
SMILESCCCCCCCCc1ccc(Cc2nc(-c3cnc(OC)nc3)cs2)cc1C(F)(F)F
InChIInChI=1S/C24H28F3N3OS/c1-3-4-5-6-7-8-9-18-11-10-17(12-20(18)24(25,26)27)13-22-30-21(16-32-22)19-14-28-23(31-2)29-15-19/h10-12,14-16H,3-9,13H2,1-2H3
InChIKeyZYCBPQRIYDJVLV-UHFFFAOYSA-N
XLogP7.12
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.57
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(2-methoxypyrimidin-5-yl)-2-[[4-octyl-3-(trifluoromethyl)phenyl]methyl]-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

Related Compounds

Foropafant
CID 119368
4-(2,4-Dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]-2-pyrimidinamine
CID 447958
2-Methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole
CID 16662932
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]pyrimidin-2-amine
CID 751816
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 6539287
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 6539288
4-(2,4-dimethylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 873221
(4-Naphthalen-2-yl-thiazol-2-yl)-pyrimidin-2-yl-amine
CID 973021
N-(3,5-dimethylphenyl)-4-(4-methylthiazol-2-yl)pyrimidin-2-amine
CID 44593471
N-(3-methyl-5-(trifluoromethyl)phenyl)-4-(thiazol-2-yl)pyrimidin-2-amine
CID 44593472
4-[1-amino-2-[4-(trifluoromethyl)phenyl]ethyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine
CID 46943520
(3,4-Difluorophenyl)-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanamine
CID 46948560

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxypyrimidin-5-yl)-2-[[4-octyl-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole?
The IUPAC name of 4-(2-methoxypyrimidin-5-yl)-2-[[4-octyl-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole (CID 162251850) is 4-(2-methoxypyrimidin-5-yl)-2-[[4-octyl-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-(2-methoxypyrimidin-5-yl)-2-[[4-octyl-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole?
The canonical SMILES for 4-(2-methoxypyrimidin-5-yl)-2-[[4-octyl-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole is CCCCCCCCc1ccc(Cc2nc(-c3cnc(OC)nc3)cs2)cc1C(F)(F)F.
What is the InChIKey of 4-(2-methoxypyrimidin-5-yl)-2-[[4-octyl-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole?
The InChIKey is ZYCBPQRIYDJVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3OS/c1-3-4-5-6-7-8-9-18-11-10-17(12-20(18)24(25,26)27)13-22-30-21(16-32-22)19-14-28-23(31-2)29-15-19/h10-12,14-16H,3-9,13H2,1-2H3.
What are the key properties of 4-(2-methoxypyrimidin-5-yl)-2-[[4-octyl-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole?
4-(2-methoxypyrimidin-5-yl)-2-[[4-octyl-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole has a molecular weight of 463.57 g/mol, XLogP of 7.12, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxypyrimidin-5-yl)-2-[[4-octyl-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole is sourced from PubChem (CID 162251850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).