3-(cyclohexylmethylideneamino)-N-ethyl-4-(2-fluorophenyl)-1,3-thiazol-2-imine

C18H22FN3S — CID 23960373

IUPAC3-(cyclohexylmethylideneamino)-N-ethyl-4-(2-fluorophenyl)-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccccc2F)n1N=CC1CCCCC1
InChIInChI=1S/C18H22FN3S/c1-2-20-18-22(21-12-14-8-4-3-5-9-14)17(13-23-18)15-10-6-7-11-16(15)19/h6-7,10-14H,2-5,8-9H2,1H3/b20-18-,21-12?
InChIKeyMNPJYAMUVROEGY-OHOSSAGOSA-N
MW331.46 g/mol
LogP4.69
Rot. Bonds4

About 3-(cyclohexylmethylideneamino)-N-ethyl-4-(2-fluorophenyl)-1,3-thiazol-2-imine

3-(cyclohexylmethylideneamino)-N-ethyl-4-(2-fluorophenyl)-1,3-thiazol-2-imine (PubChem CID 23960373) has the molecular formula C18H22FN3S and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-(cyclohexylmethylideneamino)-N-ethyl-4-(2-fluorophenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-(cyclohexylmethylideneamino)-N-ethyl-4-(2-fluorophenyl)-1,3-thiazol-2-imine
PubChem CID23960373
Molecular FormulaC18H22FN3S
Molecular Weight331.46 g/mol
Exact Mass331.15
IUPAC Name3-(cyclohexylmethylideneamino)-N-ethyl-4-(2-fluorophenyl)-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccccc2F)n1N=CC1CCCCC1
InChIInChI=1S/C18H22FN3S/c1-2-20-18-22(21-12-14-8-4-3-5-9-14)17(13-23-18)15-10-6-7-11-16(15)19/h6-7,10-14H,2-5,8-9H2,1H3/b20-18-,21-12?
InChIKeyMNPJYAMUVROEGY-OHOSSAGOSA-N
XLogP4.69
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethylideneamino)-N-ethyl-4-(2-fluorophenyl)-1,3-thiazol-2-imine?
The IUPAC name of 3-(cyclohexylmethylideneamino)-N-ethyl-4-(2-fluorophenyl)-1,3-thiazol-2-imine (CID 23960373) is 3-(cyclohexylmethylideneamino)-N-ethyl-4-(2-fluorophenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 3-(cyclohexylmethylideneamino)-N-ethyl-4-(2-fluorophenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 3-(cyclohexylmethylideneamino)-N-ethyl-4-(2-fluorophenyl)-1,3-thiazol-2-imine is CC/N=c1\scc(-c2ccccc2F)n1N=CC1CCCCC1.
What is the InChIKey of 3-(cyclohexylmethylideneamino)-N-ethyl-4-(2-fluorophenyl)-1,3-thiazol-2-imine?
The InChIKey is MNPJYAMUVROEGY-OHOSSAGOSA-N. The full InChI is InChI=1S/C18H22FN3S/c1-2-20-18-22(21-12-14-8-4-3-5-9-14)17(13-23-18)15-10-6-7-11-16(15)19/h6-7,10-14H,2-5,8-9H2,1H3/b20-18-,21-12?.
What are the key properties of 3-(cyclohexylmethylideneamino)-N-ethyl-4-(2-fluorophenyl)-1,3-thiazol-2-imine?
3-(cyclohexylmethylideneamino)-N-ethyl-4-(2-fluorophenyl)-1,3-thiazol-2-imine has a molecular weight of 331.46 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethylideneamino)-N-ethyl-4-(2-fluorophenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23960373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).