2-ethyl-4-(3-methylphenyl)-5-(2-pyrrolidin-1-yl-4-pyridinyl)-1,3-thiazole

C21H23N3S — CID 11710028

IUPAC2-ethyl-4-(3-methylphenyl)-5-(2-pyrrolidin-1-yl-4-pyridinyl)-1,3-thiazole
SMILESCCc1nc(-c2cccc(C)c2)c(-c2ccnc(N3CCCC3)c2)s1
InChIInChI=1S/C21H23N3S/c1-3-19-23-20(16-8-6-7-15(2)13-16)21(25-19)17-9-10-22-18(14-17)24-11-4-5-12-24/h6-10,13-14H,3-5,11-12H2,1-2H3
InChIKeyCOPUEWHBPUCYBW-UHFFFAOYSA-N
MW349.50 g/mol
LogP5.34
Rot. Bonds4

About 2-ethyl-4-(3-methylphenyl)-5-(2-pyrrolidin-1-yl-4-pyridinyl)-1,3-thiazole

2-ethyl-4-(3-methylphenyl)-5-(2-pyrrolidin-1-yl-4-pyridinyl)-1,3-thiazole (PubChem CID 11710028) has the molecular formula C21H23N3S and a molecular weight of 349.50 g/mol. Its IUPAC name is 2-ethyl-4-(3-methylphenyl)-5-(2-pyrrolidin-1-yl-4-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-4-(3-methylphenyl)-5-(2-pyrrolidin-1-yl-4-pyridinyl)-1,3-thiazole
PubChem CID11710028
Molecular FormulaC21H23N3S
Molecular Weight349.50 g/mol
Exact Mass349.16
IUPAC Name2-ethyl-4-(3-methylphenyl)-5-(2-pyrrolidin-1-yl-4-pyridinyl)-1,3-thiazole
SMILESCCc1nc(-c2cccc(C)c2)c(-c2ccnc(N3CCCC3)c2)s1
InChIInChI=1S/C21H23N3S/c1-3-19-23-20(16-8-6-7-15(2)13-16)21(25-19)17-9-10-22-18(14-17)24-11-4-5-12-24/h6-10,13-14H,3-5,11-12H2,1-2H3
InChIKeyCOPUEWHBPUCYBW-UHFFFAOYSA-N
XLogP5.34
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.50
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-4-(3-methylphenyl)-5-(2-pyrrolidin-1-yl-4-pyridinyl)-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-ethyl-4-(3-methylphenyl)-5-(2-pyrrolidin-1-yl-4-pyridinyl)-1,3-thiazole?
The IUPAC name of 2-ethyl-4-(3-methylphenyl)-5-(2-pyrrolidin-1-yl-4-pyridinyl)-1,3-thiazole (CID 11710028) is 2-ethyl-4-(3-methylphenyl)-5-(2-pyrrolidin-1-yl-4-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 2-ethyl-4-(3-methylphenyl)-5-(2-pyrrolidin-1-yl-4-pyridinyl)-1,3-thiazole?
The canonical SMILES for 2-ethyl-4-(3-methylphenyl)-5-(2-pyrrolidin-1-yl-4-pyridinyl)-1,3-thiazole is CCc1nc(-c2cccc(C)c2)c(-c2ccnc(N3CCCC3)c2)s1.
What is the InChIKey of 2-ethyl-4-(3-methylphenyl)-5-(2-pyrrolidin-1-yl-4-pyridinyl)-1,3-thiazole?
The InChIKey is COPUEWHBPUCYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3S/c1-3-19-23-20(16-8-6-7-15(2)13-16)21(25-19)17-9-10-22-18(14-17)24-11-4-5-12-24/h6-10,13-14H,3-5,11-12H2,1-2H3.
What are the key properties of 2-ethyl-4-(3-methylphenyl)-5-(2-pyrrolidin-1-yl-4-pyridinyl)-1,3-thiazole?
2-ethyl-4-(3-methylphenyl)-5-(2-pyrrolidin-1-yl-4-pyridinyl)-1,3-thiazole has a molecular weight of 349.50 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(3-methylphenyl)-5-(2-pyrrolidin-1-yl-4-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 11710028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).