5-chloro-1,2,3,4-tetrahydroacridine-9-carbothioamide

C14H13ClN2S — CID 82451215

IUPAC5-chloro-1,2,3,4-tetrahydroacridine-9-carbothioamide
SMILESNC(=S)c1c2c(nc3c(Cl)cccc13)CCCC2
InChIInChI=1S/C14H13ClN2S/c15-10-6-3-5-9-12(14(16)18)8-4-1-2-7-11(8)17-13(9)10/h3,5-6H,1-2,4,7H2,(H2,16,18)
InChIKeyTWRHLYYYFBYSLL-UHFFFAOYSA-N
MW276.79 g/mol
LogP3.40
Rot. Bonds1

About 5-chloro-1,2,3,4-tetrahydroacridine-9-carbothioamide

5-chloro-1,2,3,4-tetrahydroacridine-9-carbothioamide (PubChem CID 82451215) has the molecular formula C14H13ClN2S and a molecular weight of 276.79 g/mol. Its IUPAC name is 5-chloro-1,2,3,4-tetrahydroacridine-9-carbothioamide.

Molecular Properties

Compound Name5-chloro-1,2,3,4-tetrahydroacridine-9-carbothioamide
PubChem CID82451215
Molecular FormulaC14H13ClN2S
Molecular Weight276.79 g/mol
Exact Mass276.05
IUPAC Name5-chloro-1,2,3,4-tetrahydroacridine-9-carbothioamide
SMILESNC(=S)c1c2c(nc3c(Cl)cccc13)CCCC2
InChIInChI=1S/C14H13ClN2S/c15-10-6-3-5-9-12(14(16)18)8-4-1-2-7-11(8)17-13(9)10/h3,5-6H,1-2,4,7H2,(H2,16,18)
InChIKeyTWRHLYYYFBYSLL-UHFFFAOYSA-N
XLogP3.40
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)methyl]ethanamine
CID 82451207
3-(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)propanoic acid
CID 82451226
5-methyl-1,2,3,4-tetrahydroacridin-9-amine
CID 611416
8-chloro-4-methylquinoline-2-carbothioamide
CID 82574215
5-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboximidamide
CID 82450255
5-bromo-9-chloro-1,2,3,4-tetrahydroacridine
CID 63408990
2,4-dichloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 63480718
2,6,7-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide
CID 82450693
8-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid
CID 61357942
5,7-dichloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 62202722
5,6-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 60985060
9-chloro-5-phenyl-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 63408824

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,2,3,4-tetrahydroacridine-9-carbothioamide?
The IUPAC name of 5-chloro-1,2,3,4-tetrahydroacridine-9-carbothioamide (CID 82451215) is 5-chloro-1,2,3,4-tetrahydroacridine-9-carbothioamide.
What is the SMILES notation for 5-chloro-1,2,3,4-tetrahydroacridine-9-carbothioamide?
The canonical SMILES for 5-chloro-1,2,3,4-tetrahydroacridine-9-carbothioamide is NC(=S)c1c2c(nc3c(Cl)cccc13)CCCC2.
What is the InChIKey of 5-chloro-1,2,3,4-tetrahydroacridine-9-carbothioamide?
The InChIKey is TWRHLYYYFBYSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2S/c15-10-6-3-5-9-12(14(16)18)8-4-1-2-7-11(8)17-13(9)10/h3,5-6H,1-2,4,7H2,(H2,16,18).
What are the key properties of 5-chloro-1,2,3,4-tetrahydroacridine-9-carbothioamide?
5-chloro-1,2,3,4-tetrahydroacridine-9-carbothioamide has a molecular weight of 276.79 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,2,3,4-tetrahydroacridine-9-carbothioamide is sourced from PubChem (CID 82451215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).