1-(4-chlorophenyl)-3-(1,2,3,4-tetrahydroacridin-9-ylamino)thiourea

C20H19ClN4S — CID 155511051

IUPAC1-(4-chlorophenyl)-3-(1,2,3,4-tetrahydroacridin-9-ylamino)thiourea
SMILESS=C(NNc1c2c(nc3ccccc13)CCCC2)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN4S/c21-13-9-11-14(12-10-13)22-20(26)25-24-19-15-5-1-3-7-17(15)23-18-8-4-2-6-16(18)19/h1,3,5,7,9-12H,2,4,6,8H2,(H,23,24)(H2,22,25,26)
InChIKeyHSUWPQYTIZQCMM-UHFFFAOYSA-N
MW382.92 g/mol
LogP5.08
Rot. Bonds3

About 1-(4-chlorophenyl)-3-(1,2,3,4-tetrahydroacridin-9-ylamino)thiourea

1-(4-chlorophenyl)-3-(1,2,3,4-tetrahydroacridin-9-ylamino)thiourea (PubChem CID 155511051) has the molecular formula C20H19ClN4S and a molecular weight of 382.92 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(1,2,3,4-tetrahydroacridin-9-ylamino)thiourea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(1,2,3,4-tetrahydroacridin-9-ylamino)thiourea
PubChem CID155511051
Molecular FormulaC20H19ClN4S
Molecular Weight382.92 g/mol
Exact Mass382.10
IUPAC Name1-(4-chlorophenyl)-3-(1,2,3,4-tetrahydroacridin-9-ylamino)thiourea
SMILESS=C(NNc1c2c(nc3ccccc13)CCCC2)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN4S/c21-13-9-11-14(12-10-13)22-20(26)25-24-19-15-5-1-3-7-17(15)23-18-8-4-2-6-16(18)19/h1,3,5,7,9-12H,2,4,6,8H2,(H,23,24)(H2,22,25,26)
InChIKeyHSUWPQYTIZQCMM-UHFFFAOYSA-N
XLogP5.08
TPSA48.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.92
LogP ≤ 55.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(6-Chloro-4-phenylquinazolin-2-yl)amino]-3-methylthiourea
CID 788528
Acridine, 9-(p-chloroanilino)-
CID 43664
1-(Acridin-9-ylamino)-3-phenylurea
CID 4578622
4-(4-chlorophenyl)-3-(2-quinolinyl)-1H-1,2,4-triazole-5-thione
CID 715513
1-[(7-Chloro-4-quinolinyl)amino]-3-(2,4-dichlorophenyl)thiourea
CID 2305102
2-(9(10H)-Acridinylidene)hydrazinecarbothioamide
CID 3123205
1-(2-Chlorophenyl)-3-[(7-chloroquinolin-4-yl)amino]thiourea
CID 2343881
N1-(3-chlorophenyl)-2-[2-(trifluoromethyl)-4-quinolyl]hydrazine-1-carboxamide
CID 2822141
2-acridin-9-yl-N-(3-fluorophenyl)hydrazinecarbothioamide
CID 16193428
1-(4-Bromophenyl)-3-(1,2,3,4-tetrahydroacridin-9-ylamino)thiourea
CID 155510902
1-Benzyl-3-(1,2,3,4-tetrahydroacridin-9-ylamino)thiourea
CID 155526939
1-Prop-2-enyl-3-(1,2,3,4-tetrahydroacridin-9-ylamino)thiourea
CID 155557054

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(1,2,3,4-tetrahydroacridin-9-ylamino)thiourea?
The IUPAC name of 1-(4-chlorophenyl)-3-(1,2,3,4-tetrahydroacridin-9-ylamino)thiourea (CID 155511051) is 1-(4-chlorophenyl)-3-(1,2,3,4-tetrahydroacridin-9-ylamino)thiourea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(1,2,3,4-tetrahydroacridin-9-ylamino)thiourea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(1,2,3,4-tetrahydroacridin-9-ylamino)thiourea is S=C(NNc1c2c(nc3ccccc13)CCCC2)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(1,2,3,4-tetrahydroacridin-9-ylamino)thiourea?
The InChIKey is HSUWPQYTIZQCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4S/c21-13-9-11-14(12-10-13)22-20(26)25-24-19-15-5-1-3-7-17(15)23-18-8-4-2-6-16(18)19/h1,3,5,7,9-12H,2,4,6,8H2,(H,23,24)(H2,22,25,26).
What are the key properties of 1-(4-chlorophenyl)-3-(1,2,3,4-tetrahydroacridin-9-ylamino)thiourea?
1-(4-chlorophenyl)-3-(1,2,3,4-tetrahydroacridin-9-ylamino)thiourea has a molecular weight of 382.92 g/mol, XLogP of 5.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(1,2,3,4-tetrahydroacridin-9-ylamino)thiourea is sourced from PubChem (CID 155511051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).