1-cyclohexyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]thiourea

C16H19N5S — CID 9216690

IUPAC1-cyclohexyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]thiourea
SMILESS=C(N/N=C\c1cnc2ccccc2n1)NC1CCCCC1
InChIInChI=1S/C16H19N5S/c22-16(20-12-6-2-1-3-7-12)21-18-11-13-10-17-14-8-4-5-9-15(14)19-13/h4-5,8-12H,1-3,6-7H2,(H2,20,21,22)/b18-11-
InChIKeyFHMDABAVWIASKA-WQRHYEAKSA-N
MW313.43 g/mol
LogP2.76
Rot. Bonds3

About 1-cyclohexyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]thiourea

1-cyclohexyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]thiourea (PubChem CID 9216690) has the molecular formula C16H19N5S and a molecular weight of 313.43 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]thiourea
PubChem CID9216690
Molecular FormulaC16H19N5S
Molecular Weight313.43 g/mol
Exact Mass313.14
IUPAC Name1-cyclohexyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]thiourea
SMILESS=C(N/N=C\c1cnc2ccccc2n1)NC1CCCCC1
InChIInChI=1S/C16H19N5S/c22-16(20-12-6-2-1-3-7-12)21-18-11-13-10-17-14-8-4-5-9-15(14)19-13/h4-5,8-12H,1-3,6-7H2,(H2,20,21,22)/b18-11-
InChIKeyFHMDABAVWIASKA-WQRHYEAKSA-N
XLogP2.76
TPSA62.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-3-[(Z)-quinoxalin-2-ylmethylideneamino]thiourea
CID 11938271
N-(quinoxalin-2-ylmethylideneamino)cyclopropanecarboxamide
CID 1223964
1-(3-methylbutyl)-3-[(Z)-quinoxalin-2-ylmethylideneamino]thiourea
CID 9241154
4-hydroxy-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide
CID 9212160
1,2-bis[(E)-quinoxalin-2-ylmethylideneamino]guanidine
CID 127033482
N-propan-2-yl-N'-[(Z)-quinoxalin-2-ylmethylideneamino]oxamide
CID 9352105
1-cyclohexyl-3-[(E)-(2-nitrophenyl)methylideneamino]thiourea
CID 6904278
N-[(Z)-quinoxalin-2-ylmethylideneamino]pyridine-2-carboxamide
CID 9194647
1-phenyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]urea
CID 9243242
1-cyclohexyl-3-[(Z)-(2-propoxyphenyl)methylideneamino]thiourea
CID 112538714
1-cyclohexyl-3-[(E)-(2,4,5-trihydroxyphenyl)methylideneamino]thiourea
CID 136621681
1-cyclohexyl-3-[(E)-(4-ethylphenyl)methylideneamino]thiourea
CID 42991509

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]thiourea?
The IUPAC name of 1-cyclohexyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]thiourea (CID 9216690) is 1-cyclohexyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]thiourea is S=C(N/N=C\c1cnc2ccccc2n1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]thiourea?
The InChIKey is FHMDABAVWIASKA-WQRHYEAKSA-N. The full InChI is InChI=1S/C16H19N5S/c22-16(20-12-6-2-1-3-7-12)21-18-11-13-10-17-14-8-4-5-9-15(14)19-13/h4-5,8-12H,1-3,6-7H2,(H2,20,21,22)/b18-11-.
What are the key properties of 1-cyclohexyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]thiourea?
1-cyclohexyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]thiourea has a molecular weight of 313.43 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]thiourea is sourced from PubChem (CID 9216690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).