N-cyclohexyl-4-(2-fluorophenyl)-3-[(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine

C21H22FN3OS — CID 23932879

IUPACN-cyclohexyl-4-(2-fluorophenyl)-3-[(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
SMILESCc1ccc(C=Nn2c(-c3ccccc3F)cs/c2=N\C2CCCCC2)o1
InChIInChI=1S/C21H22FN3OS/c1-15-11-12-17(26-15)13-23-25-20(18-9-5-6-10-19(18)22)14-27-21(25)24-16-7-3-2-4-8-16/h5-6,9-14,16H,2-4,7-8H2,1H3/b23-13?,24-21-
InChIKeyZBGSZHBVTANWOV-HKQCODESSA-N
MW383.49 g/mol
LogP5.37
Rot. Bonds4

About N-cyclohexyl-4-(2-fluorophenyl)-3-[(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine

N-cyclohexyl-4-(2-fluorophenyl)-3-[(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine (PubChem CID 23932879) has the molecular formula C21H22FN3OS and a molecular weight of 383.49 g/mol. Its IUPAC name is N-cyclohexyl-4-(2-fluorophenyl)-3-[(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-cyclohexyl-4-(2-fluorophenyl)-3-[(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
PubChem CID23932879
Molecular FormulaC21H22FN3OS
Molecular Weight383.49 g/mol
Exact Mass383.15
IUPAC NameN-cyclohexyl-4-(2-fluorophenyl)-3-[(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
SMILESCc1ccc(C=Nn2c(-c3ccccc3F)cs/c2=N\C2CCCCC2)o1
InChIInChI=1S/C21H22FN3OS/c1-15-11-12-17(26-15)13-23-25-20(18-9-5-6-10-19(18)22)14-27-21(25)24-16-7-3-2-4-8-16/h5-6,9-14,16H,2-4,7-8H2,1H3/b23-13?,24-21-
InChIKeyZBGSZHBVTANWOV-HKQCODESSA-N
XLogP5.37
TPSA42.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-(2-fluorophenyl)-3-[(Z)-(5-methylfuran-2-yl)methylideneamino]-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazol-2-imine
CID 7974672
3-(cyclohexylmethylideneamino)-N-ethyl-4-(2-fluorophenyl)-1,3-thiazol-2-imine
CID 23960373
(Z)-3-[(Z)-(5-methylfuran-2-yl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine
CID 6599706
3-[(2,6-difluorophenyl)methylideneamino]-4-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-imine
CID 45115437
4-(2-fluorophenyl)-N-(4-fluorophenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 23790253
(Z)-4-(2-fluorophenyl)-3-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazol-2-imine
CID 7974688
N-cyclohexyl-4-(2-methoxyphenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23878887
4-[[2-cyclohexylimino-4-(4-methylphenyl)-1,3-thiazol-3-yl]iminomethyl]benzene-1,2-diol
CID 135582260
4-(2,5-dichlorophenyl)-N-ethyl-3-[(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 23906200
N-cyclohexyl-4-[4-(difluoromethoxy)phenyl]-3-[(3-methylphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 4848240
3-(benzylideneamino)-4-(2-fluorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 23911393
2-[[2-cyclohexylimino-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135840434

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(2-fluorophenyl)-3-[(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of N-cyclohexyl-4-(2-fluorophenyl)-3-[(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine (CID 23932879) is N-cyclohexyl-4-(2-fluorophenyl)-3-[(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for N-cyclohexyl-4-(2-fluorophenyl)-3-[(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for N-cyclohexyl-4-(2-fluorophenyl)-3-[(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine is Cc1ccc(C=Nn2c(-c3ccccc3F)cs/c2=N\C2CCCCC2)o1.
What is the InChIKey of N-cyclohexyl-4-(2-fluorophenyl)-3-[(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine?
The InChIKey is ZBGSZHBVTANWOV-HKQCODESSA-N. The full InChI is InChI=1S/C21H22FN3OS/c1-15-11-12-17(26-15)13-23-25-20(18-9-5-6-10-19(18)22)14-27-21(25)24-16-7-3-2-4-8-16/h5-6,9-14,16H,2-4,7-8H2,1H3/b23-13?,24-21-.
What are the key properties of N-cyclohexyl-4-(2-fluorophenyl)-3-[(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine?
N-cyclohexyl-4-(2-fluorophenyl)-3-[(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine has a molecular weight of 383.49 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(2-fluorophenyl)-3-[(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 23932879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).