5-cyano-N-[2-(cyclohexen-1-yl)-4-(1,1-dioxo-1,2,6-thiadiazinan-4-yl)phenyl]-1H-imidazole-2-carboxamide

C20H22N6O3S — CID 24783618

IUPAC5-cyano-N-[2-(cyclohexen-1-yl)-4-(1,1-dioxo-1,2,6-thiadiazinan-4-yl)phenyl]-1H-imidazole-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(C3CNS(=O)(=O)NC3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C20H22N6O3S/c21-9-16-12-22-19(25-16)20(27)26-18-7-6-14(15-10-23-30(28,29)24-11-15)8-17(18)13-4-2-1-3-5-13/h4,6-8,12,15,23-24H,1-3,5,10-11H2,(H,22,25)(H,26,27)
InChIKeyRTFRCHRKGODPBC-UHFFFAOYSA-N
MW426.50 g/mol
LogP2.01
Rot. Bonds4

About 5-cyano-N-[2-(cyclohexen-1-yl)-4-(1,1-dioxo-1,2,6-thiadiazinan-4-yl)phenyl]-1H-imidazole-2-carboxamide

5-cyano-N-[2-(cyclohexen-1-yl)-4-(1,1-dioxo-1,2,6-thiadiazinan-4-yl)phenyl]-1H-imidazole-2-carboxamide (PubChem CID 24783618) has the molecular formula C20H22N6O3S and a molecular weight of 426.50 g/mol. Its IUPAC name is 5-cyano-N-[2-(cyclohexen-1-yl)-4-(1,1-dioxo-1,2,6-thiadiazinan-4-yl)phenyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(cyclohexen-1-yl)-4-(1,1-dioxo-1,2,6-thiadiazinan-4-yl)phenyl]-1H-imidazole-2-carboxamide
PubChem CID24783618
Molecular FormulaC20H22N6O3S
Molecular Weight426.50 g/mol
Exact Mass426.15
IUPAC Name5-cyano-N-[2-(cyclohexen-1-yl)-4-(1,1-dioxo-1,2,6-thiadiazinan-4-yl)phenyl]-1H-imidazole-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(C3CNS(=O)(=O)NC3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C20H22N6O3S/c21-9-16-12-22-19(25-16)20(27)26-18-7-6-14(15-10-23-30(28,29)24-11-15)8-17(18)13-4-2-1-3-5-13/h4,6-8,12,15,23-24H,1-3,5,10-11H2,(H,22,25)(H,26,27)
InChIKeyRTFRCHRKGODPBC-UHFFFAOYSA-N
XLogP2.01
TPSA139.77 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 52.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 5-cyano-N-[2-(cyclohexen-1-yl)-4-(1,1-dioxo-1,2,6-thiadiazinan-4-yl)phenyl]-1H-imidazole-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(1,1-dioxo-1,2,6-thiadiazinan-4-yl)phenyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(1,1-dioxo-1,2,6-thiadiazinan-4-yl)phenyl]-1H-imidazole-2-carboxamide (CID 24783618) is 5-cyano-N-[2-(cyclohexen-1-yl)-4-(1,1-dioxo-1,2,6-thiadiazinan-4-yl)phenyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(cyclohexen-1-yl)-4-(1,1-dioxo-1,2,6-thiadiazinan-4-yl)phenyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(cyclohexen-1-yl)-4-(1,1-dioxo-1,2,6-thiadiazinan-4-yl)phenyl]-1H-imidazole-2-carboxamide is N#Cc1cnc(C(=O)Nc2ccc(C3CNS(=O)(=O)NC3)cc2C2=CCCCC2)[nH]1.
What is the InChIKey of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(1,1-dioxo-1,2,6-thiadiazinan-4-yl)phenyl]-1H-imidazole-2-carboxamide?
The InChIKey is RTFRCHRKGODPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3S/c21-9-16-12-22-19(25-16)20(27)26-18-7-6-14(15-10-23-30(28,29)24-11-15)8-17(18)13-4-2-1-3-5-13/h4,6-8,12,15,23-24H,1-3,5,10-11H2,(H,22,25)(H,26,27).
What are the key properties of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(1,1-dioxo-1,2,6-thiadiazinan-4-yl)phenyl]-1H-imidazole-2-carboxamide?
5-cyano-N-[2-(cyclohexen-1-yl)-4-(1,1-dioxo-1,2,6-thiadiazinan-4-yl)phenyl]-1H-imidazole-2-carboxamide has a molecular weight of 426.50 g/mol, XLogP of 2.01, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(cyclohexen-1-yl)-4-(1,1-dioxo-1,2,6-thiadiazinan-4-yl)phenyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 24783618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).