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

C15H16N2O2S — CID 165101780

IUPAC2-methyl-4-(4-propoxy-1,3-thiazol-5-yl)-7H-cyclopenta[c]pyridin-1-one
SMILESCCCOc1ncsc1-c1cn(C)c(=O)c2c1C=CC2
InChIInChI=1S/C15H16N2O2S/c1-3-7-19-14-13(20-9-16-14)12-8-17(2)15(18)11-6-4-5-10(11)12/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyYLJYZTHTHOHITM-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.87
Rot. Bonds4

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

2-methyl-4-(4-propoxy-1,3-thiazol-5-yl)-7H-cyclopenta[c]pyridin-1-one (PubChem CID 165101780) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-methyl-4-(4-propoxy-1,3-thiazol-5-yl)-7H-cyclopenta[c]pyridin-1-one.

Molecular Properties

Compound Name2-methyl-4-(4-propoxy-1,3-thiazol-5-yl)-7H-cyclopenta[c]pyridin-1-one
PubChem CID165101780
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name2-methyl-4-(4-propoxy-1,3-thiazol-5-yl)-7H-cyclopenta[c]pyridin-1-one
SMILESCCCOc1ncsc1-c1cn(C)c(=O)c2c1C=CC2
InChIInChI=1S/C15H16N2O2S/c1-3-7-19-14-13(20-9-16-14)12-8-17(2)15(18)11-6-4-5-10(11)12/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyYLJYZTHTHOHITM-UHFFFAOYSA-N
XLogP2.87
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-propoxy-1,3-thiazol-5-yl)-7H-cyclopenta[c]pyridin-1-one?
The IUPAC name of 2-methyl-4-(4-propoxy-1,3-thiazol-5-yl)-7H-cyclopenta[c]pyridin-1-one (CID 165101780) is 2-methyl-4-(4-propoxy-1,3-thiazol-5-yl)-7H-cyclopenta[c]pyridin-1-one.
What is the SMILES notation for 2-methyl-4-(4-propoxy-1,3-thiazol-5-yl)-7H-cyclopenta[c]pyridin-1-one?
The canonical SMILES for 2-methyl-4-(4-propoxy-1,3-thiazol-5-yl)-7H-cyclopenta[c]pyridin-1-one is CCCOc1ncsc1-c1cn(C)c(=O)c2c1C=CC2.
What is the InChIKey of 2-methyl-4-(4-propoxy-1,3-thiazol-5-yl)-7H-cyclopenta[c]pyridin-1-one?
The InChIKey is YLJYZTHTHOHITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-3-7-19-14-13(20-9-16-14)12-8-17(2)15(18)11-6-4-5-10(11)12/h4-5,8-9H,3,6-7H2,1-2H3.
What are the key properties of 2-methyl-4-(4-propoxy-1,3-thiazol-5-yl)-7H-cyclopenta[c]pyridin-1-one?
2-methyl-4-(4-propoxy-1,3-thiazol-5-yl)-7H-cyclopenta[c]pyridin-1-one has a molecular weight of 288.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-propoxy-1,3-thiazol-5-yl)-7H-cyclopenta[c]pyridin-1-one is sourced from PubChem (CID 165101780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).