N'-methyl-N-methylidene-[1]benzothiolo[3,2-c]carbazole-5-carboximidamide

C21H15N3S — CID 166953789

IUPACN'-methyl-N-methylidene-[1]benzothiolo[3,2-c]carbazole-5-carboximidamide
SMILESC=N/C(=N\C)n1c2ccccc2c2c3sc4ccccc4c3ccc21
InChIInChI=1S/C21H15N3S/c1-22-21(23-2)24-16-9-5-3-8-15(16)19-17(24)12-11-14-13-7-4-6-10-18(13)25-20(14)19/h3-12H,1H2,2H3/b23-21+
InChIKeyOXLKJMWWJQXVTG-XTQSDGFTSA-N
MW341.44 g/mol
LogP5.70
Rot. Bonds

About N'-methyl-N-methylidene-[1]benzothiolo[3,2-c]carbazole-5-carboximidamide

N'-methyl-N-methylidene-[1]benzothiolo[3,2-c]carbazole-5-carboximidamide (PubChem CID 166953789) has the molecular formula C21H15N3S and a molecular weight of 341.44 g/mol. Its IUPAC name is N'-methyl-N-methylidene-[1]benzothiolo[3,2-c]carbazole-5-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-methylidene-[1]benzothiolo[3,2-c]carbazole-5-carboximidamide
PubChem CID166953789
Molecular FormulaC21H15N3S
Molecular Weight341.44 g/mol
Exact Mass341.10
IUPAC NameN'-methyl-N-methylidene-[1]benzothiolo[3,2-c]carbazole-5-carboximidamide
SMILESC=N/C(=N\C)n1c2ccccc2c2c3sc4ccccc4c3ccc21
InChIInChI=1S/C21H15N3S/c1-22-21(23-2)24-16-9-5-3-8-15(16)19-17(24)12-11-14-13-7-4-6-10-18(13)25-20(14)19/h3-12H,1H2,2H3/b23-21+
InChIKeyOXLKJMWWJQXVTG-XTQSDGFTSA-N
XLogP5.70
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.44
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-(3-methylphenyl)-[1]benzothiolo[3,2-c]carbazole
CID 121339080
5-(4-ethylphenyl)-[1]benzothiolo[3,2-c]carbazole
CID 118689653
[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]boronic acid
CID 71235174
5-(1H-indol-3-yl)-[1]benzothiolo[3,2-c]carbazole
CID 121429648
5-(9,9-dimethylfluoren-1-yl)-[1]benzothiolo[3,2-c]carbazole
CID 118503087
5-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-c]carbazole
CID 170393989
3-tert-butyl-5-methyl-[1]benzothiolo[3,2-c]carbazole
CID 169027694
5-[4-[4-(3-tert-butylcarbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 167193144
5-(2,3-diphenylquinoxalin-6-yl)-[1]benzothiolo[3,2-c]carbazole
CID 138467912
9-(3,5-diphenylphenyl)-23-thia-9-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene
CID 122465993
5-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4,6-bis(2-ethylphenyl)-2-methylphenyl]-[1]benzothiolo[3,2-c]carbazole
CID 139553252
N,5-diphenyl-N-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazol-2-amine
CID 89448189

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-methylidene-[1]benzothiolo[3,2-c]carbazole-5-carboximidamide?
The IUPAC name of N'-methyl-N-methylidene-[1]benzothiolo[3,2-c]carbazole-5-carboximidamide (CID 166953789) is N'-methyl-N-methylidene-[1]benzothiolo[3,2-c]carbazole-5-carboximidamide.
What is the SMILES notation for N'-methyl-N-methylidene-[1]benzothiolo[3,2-c]carbazole-5-carboximidamide?
The canonical SMILES for N'-methyl-N-methylidene-[1]benzothiolo[3,2-c]carbazole-5-carboximidamide is C=N/C(=N\C)n1c2ccccc2c2c3sc4ccccc4c3ccc21.
What is the InChIKey of N'-methyl-N-methylidene-[1]benzothiolo[3,2-c]carbazole-5-carboximidamide?
The InChIKey is OXLKJMWWJQXVTG-XTQSDGFTSA-N. The full InChI is InChI=1S/C21H15N3S/c1-22-21(23-2)24-16-9-5-3-8-15(16)19-17(24)12-11-14-13-7-4-6-10-18(13)25-20(14)19/h3-12H,1H2,2H3/b23-21+.
What are the key properties of N'-methyl-N-methylidene-[1]benzothiolo[3,2-c]carbazole-5-carboximidamide?
N'-methyl-N-methylidene-[1]benzothiolo[3,2-c]carbazole-5-carboximidamide has a molecular weight of 341.44 g/mol, XLogP of 5.70, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-methylidene-[1]benzothiolo[3,2-c]carbazole-5-carboximidamide is sourced from PubChem (CID 166953789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).