N-(7,8-dimethoxyphenazin-2-yl)thiomorpholine-4-carbothioamide

C19H20N4O2S2 — CID 126001921

IUPACN-(7,8-dimethoxyphenazin-2-yl)thiomorpholine-4-carbothioamide
SMILESCOc1cc2nc3ccc(NC(=S)N4CCSCC4)cc3nc2cc1OC
InChIInChI=1S/C19H20N4O2S2/c1-24-17-10-15-16(11-18(17)25-2)22-14-9-12(3-4-13(14)21-15)20-19(26)23-5-7-27-8-6-23/h3-4,9-11H,5-8H2,1-2H3,(H,20,26)
InChIKeyLWKVSFFKMDTLPY-UHFFFAOYSA-N
MW400.53 g/mol
LogP3.55
Rot. Bonds3

About N-(7,8-dimethoxyphenazin-2-yl)thiomorpholine-4-carbothioamide

N-(7,8-dimethoxyphenazin-2-yl)thiomorpholine-4-carbothioamide (PubChem CID 126001921) has the molecular formula C19H20N4O2S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is N-(7,8-dimethoxyphenazin-2-yl)thiomorpholine-4-carbothioamide.

Molecular Properties

Compound NameN-(7,8-dimethoxyphenazin-2-yl)thiomorpholine-4-carbothioamide
PubChem CID126001921
Molecular FormulaC19H20N4O2S2
Molecular Weight400.53 g/mol
Exact Mass400.10
IUPAC NameN-(7,8-dimethoxyphenazin-2-yl)thiomorpholine-4-carbothioamide
SMILESCOc1cc2nc3ccc(NC(=S)N4CCSCC4)cc3nc2cc1OC
InChIInChI=1S/C19H20N4O2S2/c1-24-17-10-15-16(11-18(17)25-2)22-14-9-12(3-4-13(14)21-15)20-19(26)23-5-7-27-8-6-23/h3-4,9-11H,5-8H2,1-2H3,(H,20,26)
InChIKeyLWKVSFFKMDTLPY-UHFFFAOYSA-N
XLogP3.55
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxyphenyl)thiomorpholine-4-carbothioamide
CID 125475588
N-(2,3-dimethylquinoxalin-6-yl)-4-methylpiperidine-1-carbothioamide
CID 797648
1-anilino-3-(7,8-dimethoxyphenazin-2-yl)thiourea
CID 126000432
N-(2,3-dipyridin-2-ylquinoxalin-6-yl)pyrrolidine-1-carbothioamide
CID 1331085
N-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide
CID 19654388
4-(2-methoxyphenyl)-N-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)piperazine-1-carbothioamide
CID 46251263
N-(4-methoxyphenyl)piperidine-1-carbothioamide
CID 883440
N-(4-bromo-3-chlorophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide
CID 11027750
N-(3-bromophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide
CID 22707651
N-(3,4-dimethylphenyl)-4-(2-methoxyphenyl)piperidine-1-carbothioamide
CID 5010652
N-(3-fluoro-4-methylphenyl)-4-(2-methoxyphenyl)piperazine-1-carbothioamide
CID 55427013
N-(4-chloro-2,5-dimethoxyphenyl)-1,3-thiazolidine-3-carbothioamide
CID 23966556

Frequently Asked Questions

What is the IUPAC name of N-(7,8-dimethoxyphenazin-2-yl)thiomorpholine-4-carbothioamide?
The IUPAC name of N-(7,8-dimethoxyphenazin-2-yl)thiomorpholine-4-carbothioamide (CID 126001921) is N-(7,8-dimethoxyphenazin-2-yl)thiomorpholine-4-carbothioamide.
What is the SMILES notation for N-(7,8-dimethoxyphenazin-2-yl)thiomorpholine-4-carbothioamide?
The canonical SMILES for N-(7,8-dimethoxyphenazin-2-yl)thiomorpholine-4-carbothioamide is COc1cc2nc3ccc(NC(=S)N4CCSCC4)cc3nc2cc1OC.
What is the InChIKey of N-(7,8-dimethoxyphenazin-2-yl)thiomorpholine-4-carbothioamide?
The InChIKey is LWKVSFFKMDTLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S2/c1-24-17-10-15-16(11-18(17)25-2)22-14-9-12(3-4-13(14)21-15)20-19(26)23-5-7-27-8-6-23/h3-4,9-11H,5-8H2,1-2H3,(H,20,26).
What are the key properties of N-(7,8-dimethoxyphenazin-2-yl)thiomorpholine-4-carbothioamide?
N-(7,8-dimethoxyphenazin-2-yl)thiomorpholine-4-carbothioamide has a molecular weight of 400.53 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,8-dimethoxyphenazin-2-yl)thiomorpholine-4-carbothioamide is sourced from PubChem (CID 126001921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).