3-acridin-9-yl-1-amino-1-methylthiourea

C15H14N4S — CID 3038128

IUPAC3-acridin-9-yl-1-amino-1-methylthiourea
SMILESCN(N)C(=S)Nc1c2ccccc2nc2ccccc12
InChIInChI=1S/C15H14N4S/c1-19(16)15(20)18-14-10-6-2-4-8-12(10)17-13-9-5-3-7-11(13)14/h2-9H,16H2,1H3,(H,17,18,20)
InChIKeyZYJJOXVPWPAGPM-UHFFFAOYSA-N
MW282.37 g/mol
LogP2.89
Rot. Bonds1

About 3-acridin-9-yl-1-amino-1-methylthiourea

3-acridin-9-yl-1-amino-1-methylthiourea (PubChem CID 3038128) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is 3-acridin-9-yl-1-amino-1-methylthiourea.

Molecular Properties

Compound Name3-acridin-9-yl-1-amino-1-methylthiourea
PubChem CID3038128
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Name3-acridin-9-yl-1-amino-1-methylthiourea
SMILESCN(N)C(=S)Nc1c2ccccc2nc2ccccc12
InChIInChI=1S/C15H14N4S/c1-19(16)15(20)18-14-10-6-2-4-8-12(10)17-13-9-5-3-7-11(13)14/h2-9H,16H2,1H3,(H,17,18,20)
InChIKeyZYJJOXVPWPAGPM-UHFFFAOYSA-N
XLogP2.89
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

9-Aminoacridine
CID 7019
9-Aminoacridine hydrochloride
CID 8643
Acridine, 9-hydrazino-
CID 18864
N-Methyl-9-acridinamine
CID 31503
9-(3'-Dimethylaminopropylamino)acridine
CID 14169
4-(2-methylphenyl)-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione
CID 706172
N1-9-Acridinyl-1,2-ethanediamine
CID 470829
9-Acridinamine, 4-methyl-
CID 19081
9-Isothiocyanatoacridine
CID 82090
9-Acridinamine, N-propyl-
CID 153062
1-Phenyl-3-[(E)-quinolin-6-ylmethylideneamino]thiourea
CID 9565756
Acridin-9-yl-[1,3,4]thiadiazol-2-yl-amine
CID 2945556

Frequently Asked Questions

What is the IUPAC name of 3-acridin-9-yl-1-amino-1-methylthiourea?
The IUPAC name of 3-acridin-9-yl-1-amino-1-methylthiourea (CID 3038128) is 3-acridin-9-yl-1-amino-1-methylthiourea.
What is the SMILES notation for 3-acridin-9-yl-1-amino-1-methylthiourea?
The canonical SMILES for 3-acridin-9-yl-1-amino-1-methylthiourea is CN(N)C(=S)Nc1c2ccccc2nc2ccccc12.
What is the InChIKey of 3-acridin-9-yl-1-amino-1-methylthiourea?
The InChIKey is ZYJJOXVPWPAGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c1-19(16)15(20)18-14-10-6-2-4-8-12(10)17-13-9-5-3-7-11(13)14/h2-9H,16H2,1H3,(H,17,18,20).
What are the key properties of 3-acridin-9-yl-1-amino-1-methylthiourea?
3-acridin-9-yl-1-amino-1-methylthiourea has a molecular weight of 282.37 g/mol, XLogP of 2.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acridin-9-yl-1-amino-1-methylthiourea is sourced from PubChem (CID 3038128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).