4-(4-cyclobutyloxy-1,3-thiazol-5-yl)-2-methyl-7H-cyclopenta[c]pyridin-1-one

C16H16N2O2S — CID 164999420

IUPAC4-(4-cyclobutyloxy-1,3-thiazol-5-yl)-2-methyl-7H-cyclopenta[c]pyridin-1-one
SMILESCn1cc(-c2scnc2OC2CCC2)c2c(c1=O)CC=C2
InChIInChI=1S/C16H16N2O2S/c1-18-8-13(11-6-3-7-12(11)16(18)19)14-15(17-9-21-14)20-10-4-2-5-10/h3,6,8-10H,2,4-5,7H2,1H3
InChIKeyIAIFBBUATNUJBE-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.01
Rot. Bonds3

About 4-(4-cyclobutyloxy-1,3-thiazol-5-yl)-2-methyl-7H-cyclopenta[c]pyridin-1-one

4-(4-cyclobutyloxy-1,3-thiazol-5-yl)-2-methyl-7H-cyclopenta[c]pyridin-1-one (PubChem CID 164999420) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-(4-cyclobutyloxy-1,3-thiazol-5-yl)-2-methyl-7H-cyclopenta[c]pyridin-1-one.

Molecular Properties

Compound Name4-(4-cyclobutyloxy-1,3-thiazol-5-yl)-2-methyl-7H-cyclopenta[c]pyridin-1-one
PubChem CID164999420
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name4-(4-cyclobutyloxy-1,3-thiazol-5-yl)-2-methyl-7H-cyclopenta[c]pyridin-1-one
SMILESCn1cc(-c2scnc2OC2CCC2)c2c(c1=O)CC=C2
InChIInChI=1S/C16H16N2O2S/c1-18-8-13(11-6-3-7-12(11)16(18)19)14-15(17-9-21-14)20-10-4-2-5-10/h3,6,8-10H,2,4-5,7H2,1H3
InChIKeyIAIFBBUATNUJBE-UHFFFAOYSA-N
XLogP3.01
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(4-cyclobutyloxy-1,3-thiazol-5-yl)-2-methyl-7H-cyclopenta[c]pyridin-1-one 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

2-methyl-4-(4-propoxy-1,3-thiazol-5-yl)-7H-cyclopenta[c]pyridin-1-one
CID 165101780

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclobutyloxy-1,3-thiazol-5-yl)-2-methyl-7H-cyclopenta[c]pyridin-1-one?
The IUPAC name of 4-(4-cyclobutyloxy-1,3-thiazol-5-yl)-2-methyl-7H-cyclopenta[c]pyridin-1-one (CID 164999420) is 4-(4-cyclobutyloxy-1,3-thiazol-5-yl)-2-methyl-7H-cyclopenta[c]pyridin-1-one.
What is the SMILES notation for 4-(4-cyclobutyloxy-1,3-thiazol-5-yl)-2-methyl-7H-cyclopenta[c]pyridin-1-one?
The canonical SMILES for 4-(4-cyclobutyloxy-1,3-thiazol-5-yl)-2-methyl-7H-cyclopenta[c]pyridin-1-one is Cn1cc(-c2scnc2OC2CCC2)c2c(c1=O)CC=C2.
What is the InChIKey of 4-(4-cyclobutyloxy-1,3-thiazol-5-yl)-2-methyl-7H-cyclopenta[c]pyridin-1-one?
The InChIKey is IAIFBBUATNUJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-18-8-13(11-6-3-7-12(11)16(18)19)14-15(17-9-21-14)20-10-4-2-5-10/h3,6,8-10H,2,4-5,7H2,1H3.
What are the key properties of 4-(4-cyclobutyloxy-1,3-thiazol-5-yl)-2-methyl-7H-cyclopenta[c]pyridin-1-one?
4-(4-cyclobutyloxy-1,3-thiazol-5-yl)-2-methyl-7H-cyclopenta[c]pyridin-1-one has a molecular weight of 300.38 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclobutyloxy-1,3-thiazol-5-yl)-2-methyl-7H-cyclopenta[c]pyridin-1-one is sourced from PubChem (CID 164999420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).