1,1-dimethyl-3-phenazin-2-ylthiourea

C15H14N4S — CID 3959074

IUPAC1,1-dimethyl-3-phenazin-2-ylthiourea
SMILESCN(C)C(=S)Nc1ccc2nc3ccccc3nc2c1
InChIInChI=1S/C15H14N4S/c1-19(2)15(20)16-10-7-8-13-14(9-10)18-12-6-4-3-5-11(12)17-13/h3-9H,1-2H3,(H,16,20)
InChIKeyTZWUGABAZXBNKQ-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.04
Rot. Bonds1

About 1,1-dimethyl-3-phenazin-2-ylthiourea

1,1-dimethyl-3-phenazin-2-ylthiourea (PubChem CID 3959074) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is 1,1-dimethyl-3-phenazin-2-ylthiourea.

Molecular Properties

Compound Name1,1-dimethyl-3-phenazin-2-ylthiourea
PubChem CID3959074
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Name1,1-dimethyl-3-phenazin-2-ylthiourea
SMILESCN(C)C(=S)Nc1ccc2nc3ccccc3nc2c1
InChIInChI=1S/C15H14N4S/c1-19(2)15(20)16-10-7-8-13-14(9-10)18-12-6-4-3-5-11(12)17-13/h3-9H,1-2H3,(H,16,20)
InChIKeyTZWUGABAZXBNKQ-UHFFFAOYSA-N
XLogP3.04
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1,1-dimethyl-3-phenazin-2-ylthiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1-dimethyl-3-phenanthro[9,10-b]quinoxalin-11-ylthiourea
CID 3540148
3-acridin-3-yl-1-methyl-1-phenylthiourea
CID 3660243
N-phenazin-2-ylbutanamide
CID 73349412
1-acridin-3-yl-3-[4-(dimethylamino)phenyl]thiourea
CID 126197076
3-(3-chlorophenyl)-1,1-dimethylthiourea
CID 3667583
1-anilino-3-(7,8-dimethoxyphenazin-2-yl)thiourea
CID 126000432
3-(4-chlorophenyl)-1,1-dimethylthiourea;hydroiodide
CID 118931463
1-benzyl-3-(2,3-dihydro-[1,4]dioxino[2,3-b]phenazin-8-yl)thiourea
CID 126004026
1-tert-butyl-3-phenanthro[9,10-b]quinoxalin-11-ylthiourea
CID 4637384
N-phenazin-2-ylfuran-2-carboxamide
CID 73349396
3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1,1-dimethylthiourea
CID 47506592
1-(2,3-dihydro-[1,4]dioxino[2,3-b]phenazin-8-yl)-3-(3,4-dimethylphenyl)thiourea
CID 126004663

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-phenazin-2-ylthiourea?
The IUPAC name of 1,1-dimethyl-3-phenazin-2-ylthiourea (CID 3959074) is 1,1-dimethyl-3-phenazin-2-ylthiourea.
What is the SMILES notation for 1,1-dimethyl-3-phenazin-2-ylthiourea?
The canonical SMILES for 1,1-dimethyl-3-phenazin-2-ylthiourea is CN(C)C(=S)Nc1ccc2nc3ccccc3nc2c1.
What is the InChIKey of 1,1-dimethyl-3-phenazin-2-ylthiourea?
The InChIKey is TZWUGABAZXBNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c1-19(2)15(20)16-10-7-8-13-14(9-10)18-12-6-4-3-5-11(12)17-13/h3-9H,1-2H3,(H,16,20).
What are the key properties of 1,1-dimethyl-3-phenazin-2-ylthiourea?
1,1-dimethyl-3-phenazin-2-ylthiourea has a molecular weight of 282.37 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-phenazin-2-ylthiourea is sourced from PubChem (CID 3959074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).