5-(2-chloropyrimidin-4-yl)-2-(cyclobutylmethyl)-4-(3,5-dimethoxyphenyl)-1,3-thiazole

C20H20ClN3O2S — CID 58377344

IUPAC5-(2-chloropyrimidin-4-yl)-2-(cyclobutylmethyl)-4-(3,5-dimethoxyphenyl)-1,3-thiazole
SMILESCOc1cc(OC)cc(-c2nc(CC3CCC3)sc2-c2ccnc(Cl)n2)c1
InChIInChI=1S/C20H20ClN3O2S/c1-25-14-9-13(10-15(11-14)26-2)18-19(16-6-7-22-20(21)23-16)27-17(24-18)8-12-4-3-5-12/h6-7,9-12H,3-5,8H2,1-2H3
InChIKeyLCFWIBHWBVKOEX-UHFFFAOYSA-N
MW401.92 g/mol
LogP5.28
Rot. Bonds6

About 5-(2-chloropyrimidin-4-yl)-2-(cyclobutylmethyl)-4-(3,5-dimethoxyphenyl)-1,3-thiazole

5-(2-chloropyrimidin-4-yl)-2-(cyclobutylmethyl)-4-(3,5-dimethoxyphenyl)-1,3-thiazole (PubChem CID 58377344) has the molecular formula C20H20ClN3O2S and a molecular weight of 401.92 g/mol. Its IUPAC name is 5-(2-chloropyrimidin-4-yl)-2-(cyclobutylmethyl)-4-(3,5-dimethoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(2-chloropyrimidin-4-yl)-2-(cyclobutylmethyl)-4-(3,5-dimethoxyphenyl)-1,3-thiazole
PubChem CID58377344
Molecular FormulaC20H20ClN3O2S
Molecular Weight401.92 g/mol
Exact Mass401.10
IUPAC Name5-(2-chloropyrimidin-4-yl)-2-(cyclobutylmethyl)-4-(3,5-dimethoxyphenyl)-1,3-thiazole
SMILESCOc1cc(OC)cc(-c2nc(CC3CCC3)sc2-c2ccnc(Cl)n2)c1
InChIInChI=1S/C20H20ClN3O2S/c1-25-14-9-13(10-15(11-14)26-2)18-19(16-6-7-22-20(21)23-16)27-17(24-18)8-12-4-3-5-12/h6-7,9-12H,3-5,8H2,1-2H3
InChIKeyLCFWIBHWBVKOEX-UHFFFAOYSA-N
XLogP5.28
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.92
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(2-chloropyrimidin-4-yl)-2-(cyclobutylmethyl)-4-(3,5-dimethoxyphenyl)-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 5-(2-chloropyrimidin-4-yl)-2-(cyclobutylmethyl)-4-(3,5-dimethoxyphenyl)-1,3-thiazole?
The IUPAC name of 5-(2-chloropyrimidin-4-yl)-2-(cyclobutylmethyl)-4-(3,5-dimethoxyphenyl)-1,3-thiazole (CID 58377344) is 5-(2-chloropyrimidin-4-yl)-2-(cyclobutylmethyl)-4-(3,5-dimethoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 5-(2-chloropyrimidin-4-yl)-2-(cyclobutylmethyl)-4-(3,5-dimethoxyphenyl)-1,3-thiazole?
The canonical SMILES for 5-(2-chloropyrimidin-4-yl)-2-(cyclobutylmethyl)-4-(3,5-dimethoxyphenyl)-1,3-thiazole is COc1cc(OC)cc(-c2nc(CC3CCC3)sc2-c2ccnc(Cl)n2)c1.
What is the InChIKey of 5-(2-chloropyrimidin-4-yl)-2-(cyclobutylmethyl)-4-(3,5-dimethoxyphenyl)-1,3-thiazole?
The InChIKey is LCFWIBHWBVKOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2S/c1-25-14-9-13(10-15(11-14)26-2)18-19(16-6-7-22-20(21)23-16)27-17(24-18)8-12-4-3-5-12/h6-7,9-12H,3-5,8H2,1-2H3.
What are the key properties of 5-(2-chloropyrimidin-4-yl)-2-(cyclobutylmethyl)-4-(3,5-dimethoxyphenyl)-1,3-thiazole?
5-(2-chloropyrimidin-4-yl)-2-(cyclobutylmethyl)-4-(3,5-dimethoxyphenyl)-1,3-thiazole has a molecular weight of 401.92 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloropyrimidin-4-yl)-2-(cyclobutylmethyl)-4-(3,5-dimethoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 58377344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).