4-(5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3-thiazol-2-amine

C16H15N3OS — CID 82451876

IUPAC4-(5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3-thiazol-2-amine
SMILESCOc1cccc2c(-c3csc(N)n3)c3c(nc12)CCC3
InChIInChI=1S/C16H15N3OS/c1-20-13-7-3-5-10-14(12-8-21-16(17)19-12)9-4-2-6-11(9)18-15(10)13/h3,5,7-8H,2,4,6H2,1H3,(H2,17,19)
InChIKeyXSXFRQYEQWXVNN-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.44
Rot. Bonds2

About 4-(5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3-thiazol-2-amine

4-(5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3-thiazol-2-amine (PubChem CID 82451876) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-(5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3-thiazol-2-amine
PubChem CID82451876
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name4-(5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3-thiazol-2-amine
SMILESCOc1cccc2c(-c3csc(N)n3)c3c(nc12)CCC3
InChIInChI=1S/C16H15N3OS/c1-20-13-7-3-5-10-14(12-8-21-16(17)19-12)9-4-2-6-11(9)18-15(10)13/h3,5,7-8H,2,4,6H2,1H3,(H2,17,19)
InChIKeyXSXFRQYEQWXVNN-UHFFFAOYSA-N
XLogP3.44
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3-thiazol-2-amine (CID 82451876) is 4-(5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3-thiazol-2-amine is COc1cccc2c(-c3csc(N)n3)c3c(nc12)CCC3.
What is the InChIKey of 4-(5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3-thiazol-2-amine?
The InChIKey is XSXFRQYEQWXVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-20-13-7-3-5-10-14(12-8-21-16(17)19-12)9-4-2-6-11(9)18-15(10)13/h3,5,7-8H,2,4,6H2,1H3,(H2,17,19).
What are the key properties of 4-(5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3-thiazol-2-amine?
4-(5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3-thiazol-2-amine has a molecular weight of 297.38 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82451876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).