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

C15H14N4OS — CID 82451875

IUPAC5-(5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3,4-thiadiazol-2-amine
SMILESCOc1cccc2c(-c3nnc(N)s3)c3c(nc12)CCC3
InChIInChI=1S/C15H14N4OS/c1-20-11-7-3-5-9-12(14-18-19-15(16)21-14)8-4-2-6-10(8)17-13(9)11/h3,5,7H,2,4,6H2,1H3,(H2,16,19)
InChIKeyLBMGPOXEKDDEJH-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.83
Rot. Bonds2

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

5-(5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 82451875) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 5-(5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3,4-thiadiazol-2-amine
PubChem CID82451875
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name5-(5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3,4-thiadiazol-2-amine
SMILESCOc1cccc2c(-c3nnc(N)s3)c3c(nc12)CCC3
InChIInChI=1S/C15H14N4OS/c1-20-11-7-3-5-9-12(14-18-19-15(16)21-14)8-4-2-6-10(8)17-13(9)11/h3,5,7H,2,4,6H2,1H3,(H2,16,19)
InChIKeyLBMGPOXEKDDEJH-UHFFFAOYSA-N
XLogP2.83
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-(5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3-thiazol-2-amine
CID 82451876
5-(5-ethyl-1,2,3,4-tetrahydroacridin-9-yl)-1,3,4-thiadiazol-2-amine
CID 82450160
5-(2,6-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 3407778
5-(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3,4-thiadiazol-2-amine
CID 82450327
1-(5-methoxy-1,2,3,4-tetrahydroacridin-9-yl)ethanamine
CID 82451910
N-[(5-methoxy-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-2-amine
CID 82451889
5-(2,4,6-trimethoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 83662420
N-[(5-methoxy-1,2,3,4-tetrahydroacridin-9-yl)methyl]cyclopropanamine
CID 82451891
4-ethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 63351532
9-chloro-5-ethoxy-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 61381987
5-methyl-1,2,3,4-tetrahydroacridin-9-amine
CID 611416
6-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboximidamide
CID 82451922

Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3,4-thiadiazol-2-amine (CID 82451875) is 5-(5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3,4-thiadiazol-2-amine is COc1cccc2c(-c3nnc(N)s3)c3c(nc12)CCC3.
What is the InChIKey of 5-(5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is LBMGPOXEKDDEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-20-11-7-3-5-9-12(14-18-19-15(16)21-14)8-4-2-6-10(8)17-13(9)11/h3,5,7H,2,4,6H2,1H3,(H2,16,19).
What are the key properties of 5-(5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3,4-thiadiazol-2-amine?
5-(5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 298.37 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82451875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).