4-(1-adamantyl)-2-pyridin-3-yl-1,3-thiazole

C18H20N2S — CID 14068274

IUPAC4-(1-adamantyl)-2-pyridin-3-yl-1,3-thiazole
SMILESc1cncc(-c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1
InChIInChI=1S/C18H20N2S/c1-2-15(10-19-3-1)17-20-16(11-21-17)18-7-12-4-13(8-18)6-14(5-12)9-18/h1-3,10-14H,4-9H2
InChIKeyFGGVBFADPWYAMB-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.67
Rot. Bonds2

About 4-(1-adamantyl)-2-pyridin-3-yl-1,3-thiazole

4-(1-adamantyl)-2-pyridin-3-yl-1,3-thiazole (PubChem CID 14068274) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-(1-adamantyl)-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(1-adamantyl)-2-pyridin-3-yl-1,3-thiazole
PubChem CID14068274
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC Name4-(1-adamantyl)-2-pyridin-3-yl-1,3-thiazole
SMILESc1cncc(-c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1
InChIInChI=1S/C18H20N2S/c1-2-15(10-19-3-1)17-20-16(11-21-17)18-7-12-4-13(8-18)6-14(5-12)9-18/h1-3,10-14H,4-9H2
InChIKeyFGGVBFADPWYAMB-UHFFFAOYSA-N
XLogP4.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(1-adamantyl)-2-pyridin-3-yl-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 4-(1-adamantyl)-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 4-(1-adamantyl)-2-pyridin-3-yl-1,3-thiazole (CID 14068274) is 4-(1-adamantyl)-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 4-(1-adamantyl)-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 4-(1-adamantyl)-2-pyridin-3-yl-1,3-thiazole is c1cncc(-c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1.
What is the InChIKey of 4-(1-adamantyl)-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is FGGVBFADPWYAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-2-15(10-19-3-1)17-20-16(11-21-17)18-7-12-4-13(8-18)6-14(5-12)9-18/h1-3,10-14H,4-9H2.
What are the key properties of 4-(1-adamantyl)-2-pyridin-3-yl-1,3-thiazole?
4-(1-adamantyl)-2-pyridin-3-yl-1,3-thiazole has a molecular weight of 296.44 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantyl)-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 14068274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).