6-(4-chlorophenyl)-N-cyclohexyl-N,3-dimethyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide

C19H24ClN5OS — CID 3000056

IUPAC6-(4-chlorophenyl)-N-cyclohexyl-N,3-dimethyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
SMILESCc1nnc2n1NC(c1ccc(Cl)cc1)C(C(=O)N(C)C1CCCCC1)S2
InChIInChI=1S/C19H24ClN5OS/c1-12-21-22-19-25(12)23-16(13-8-10-14(20)11-9-13)17(27-19)18(26)24(2)15-6-4-3-5-7-15/h8-11,15-17,23H,3-7H2,1-2H3
InChIKeyXECJIESDJYAMQM-UHFFFAOYSA-N
MW405.96 g/mol
LogP3.79
Rot. Bonds3

About 6-(4-chlorophenyl)-N-cyclohexyl-N,3-dimethyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide

6-(4-chlorophenyl)-N-cyclohexyl-N,3-dimethyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide (PubChem CID 3000056) has the molecular formula C19H24ClN5OS and a molecular weight of 405.96 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-cyclohexyl-N,3-dimethyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-cyclohexyl-N,3-dimethyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
PubChem CID3000056
Molecular FormulaC19H24ClN5OS
Molecular Weight405.96 g/mol
Exact Mass405.14
IUPAC Name6-(4-chlorophenyl)-N-cyclohexyl-N,3-dimethyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
SMILESCc1nnc2n1NC(c1ccc(Cl)cc1)C(C(=O)N(C)C1CCCCC1)S2
InChIInChI=1S/C19H24ClN5OS/c1-12-21-22-19-25(12)23-16(13-8-10-14(20)11-9-13)17(27-19)18(26)24(2)15-6-4-3-5-7-15/h8-11,15-17,23H,3-7H2,1-2H3
InChIKeyXECJIESDJYAMQM-UHFFFAOYSA-N
XLogP3.79
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.96
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(4-chlorophenyl)-N-cyclohexyl-N,3-dimethyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-cyclohexyl-N,3-dimethyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-cyclohexyl-N,3-dimethyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide (CID 3000056) is 6-(4-chlorophenyl)-N-cyclohexyl-N,3-dimethyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-cyclohexyl-N,3-dimethyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-cyclohexyl-N,3-dimethyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide is Cc1nnc2n1NC(c1ccc(Cl)cc1)C(C(=O)N(C)C1CCCCC1)S2.
What is the InChIKey of 6-(4-chlorophenyl)-N-cyclohexyl-N,3-dimethyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide?
The InChIKey is XECJIESDJYAMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5OS/c1-12-21-22-19-25(12)23-16(13-8-10-14(20)11-9-13)17(27-19)18(26)24(2)15-6-4-3-5-7-15/h8-11,15-17,23H,3-7H2,1-2H3.
What are the key properties of 6-(4-chlorophenyl)-N-cyclohexyl-N,3-dimethyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide?
6-(4-chlorophenyl)-N-cyclohexyl-N,3-dimethyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide has a molecular weight of 405.96 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-cyclohexyl-N,3-dimethyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 3000056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).