1-[(4-chlorophenyl)methyl]-6-cyclohexyl-2,2-dioxo-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine

C17H20ClN5O2S — CID 46899279

IUPAC1-[(4-chlorophenyl)methyl]-6-cyclohexyl-2,2-dioxo-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine
SMILESNC1=NS(=O)(=O)N(Cc2ccc(Cl)cc2)c2nc(C3CCCCC3)[nH]c21
InChIInChI=1S/C17H20ClN5O2S/c18-13-8-6-11(7-9-13)10-23-17-14(15(19)22-26(23,24)25)20-16(21-17)12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H2,19,22)(H,20,21)
InChIKeyIHVATRJQIOLSMQ-UHFFFAOYSA-N
MW393.90 g/mol
LogP3.08
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-6-cyclohexyl-2,2-dioxo-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine

1-[(4-chlorophenyl)methyl]-6-cyclohexyl-2,2-dioxo-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine (PubChem CID 46899279) has the molecular formula C17H20ClN5O2S and a molecular weight of 393.90 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-6-cyclohexyl-2,2-dioxo-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-6-cyclohexyl-2,2-dioxo-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine
PubChem CID46899279
Molecular FormulaC17H20ClN5O2S
Molecular Weight393.90 g/mol
Exact Mass393.10
IUPAC Name1-[(4-chlorophenyl)methyl]-6-cyclohexyl-2,2-dioxo-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine
SMILESNC1=NS(=O)(=O)N(Cc2ccc(Cl)cc2)c2nc(C3CCCCC3)[nH]c21
InChIInChI=1S/C17H20ClN5O2S/c18-13-8-6-11(7-9-13)10-23-17-14(15(19)22-26(23,24)25)20-16(21-17)12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H2,19,22)(H,20,21)
InChIKeyIHVATRJQIOLSMQ-UHFFFAOYSA-N
XLogP3.08
TPSA104.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,6-dichlorophenyl)methyl]-8-methyl-7H-purin-6-imine
CID 138740655
8-(4-chlorophenyl)-3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-imine
CID 138740697
3-[(2,6-dichlorophenyl)methyl]-8-(4-fluorophenyl)-7H-purin-6-imine
CID 138740710
3-[(2,6-dichlorophenyl)methyl]-8-phenyl-7H-purin-6-imine
CID 138740751
8-(2-chlorophenyl)-3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-imine
CID 138740818
8-(3-chlorophenyl)-3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-imine
CID 138740903
3-[(2,6-dichlorophenyl)methyl]-8-(3-fluorophenyl)-7H-purin-6-imine
CID 139309008
3-[(2,6-dichlorophenyl)methyl]-8-(2-fluorophenyl)-7H-purin-6-imine
CID 139309009
3-[(2,6-dichlorophenyl)methyl]-8-(4-methylphenyl)-7H-purin-6-imine
CID 155229661
N-[(4-chlorophenyl)methylsulfamoyl]-6-(1H-imidazol-5-yl)hexan-1-amine
CID 9951297
N-[(4-chlorophenyl)methylsulfamoyl]-4-(1H-imidazol-5-yl)butan-1-amine
CID 44214148
N-[(4-chlorophenyl)methylsulfamoyl]-10-(1H-imidazol-5-yl)decan-1-amine
CID 44335871

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-6-cyclohexyl-2,2-dioxo-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-6-cyclohexyl-2,2-dioxo-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine (CID 46899279) is 1-[(4-chlorophenyl)methyl]-6-cyclohexyl-2,2-dioxo-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-6-cyclohexyl-2,2-dioxo-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-6-cyclohexyl-2,2-dioxo-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine is NC1=NS(=O)(=O)N(Cc2ccc(Cl)cc2)c2nc(C3CCCCC3)[nH]c21.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-6-cyclohexyl-2,2-dioxo-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine?
The InChIKey is IHVATRJQIOLSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O2S/c18-13-8-6-11(7-9-13)10-23-17-14(15(19)22-26(23,24)25)20-16(21-17)12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H2,19,22)(H,20,21).
What are the key properties of 1-[(4-chlorophenyl)methyl]-6-cyclohexyl-2,2-dioxo-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine?
1-[(4-chlorophenyl)methyl]-6-cyclohexyl-2,2-dioxo-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine has a molecular weight of 393.90 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-6-cyclohexyl-2,2-dioxo-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine is sourced from PubChem (CID 46899279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).