N-cyclohexyl-4-(4-fluorophenyl)-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine

C20H20FN3S2 — CID 23819351

IUPACN-cyclohexyl-4-(4-fluorophenyl)-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESFc1ccc(-c2cs/c(=N\C3CCCCC3)n2N=Cc2cccs2)cc1
InChIInChI=1S/C20H20FN3S2/c21-16-10-8-15(9-11-16)19-14-26-20(23-17-5-2-1-3-6-17)24(19)22-13-18-7-4-12-25-18/h4,7-14,17H,1-3,5-6H2/b22-13?,23-20-
InChIKeyQVGDWJVNKXMXNW-PTAYIXMRSA-N
MW385.53 g/mol
LogP5.53
Rot. Bonds4

About N-cyclohexyl-4-(4-fluorophenyl)-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine

N-cyclohexyl-4-(4-fluorophenyl)-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine (PubChem CID 23819351) has the molecular formula C20H20FN3S2 and a molecular weight of 385.53 g/mol. Its IUPAC name is N-cyclohexyl-4-(4-fluorophenyl)-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-cyclohexyl-4-(4-fluorophenyl)-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine
PubChem CID23819351
Molecular FormulaC20H20FN3S2
Molecular Weight385.53 g/mol
Exact Mass385.11
IUPAC NameN-cyclohexyl-4-(4-fluorophenyl)-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESFc1ccc(-c2cs/c(=N\C3CCCCC3)n2N=Cc2cccs2)cc1
InChIInChI=1S/C20H20FN3S2/c21-16-10-8-15(9-11-16)19-14-26-20(23-17-5-2-1-3-6-17)24(19)22-13-18-7-4-12-25-18/h4,7-14,17H,1-3,5-6H2/b22-13?,23-20-
InChIKeyQVGDWJVNKXMXNW-PTAYIXMRSA-N
XLogP5.53
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.53
LogP ≤ 55.53
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

(E)-4-phenyl-3-prop-2-enyl-N-[(E)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine
CID 90675448
(E)-4-phenyl-3-prop-2-enyl-N-[(E)-[(E)-3-thiophen-2-ylprop-2-enylidene]amino]-1,3-thiazol-2-imine
CID 90675449
(E)-N-methyl-4-phenyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine
CID 6903342
(E)-3-[(E)-benzylideneamino]-4-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-imine
CID 6902624
(E)-4-(2-fluorophenyl)-N-methyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine
CID 6906386
3-(benzylideneamino)-4-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-imine
CID 2365551
4-(2-fluorophenyl)-N-methyl-3-[(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 2365564
(E)-4-(2-fluorophenyl)-N-methyl-3-[(E)-(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 6902627
(E)-N-(2-fluorophenyl)-4-methyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine
CID 6904176
(E)-4-(4-fluorophenyl)-3-[(E)-(4-methylsulfanylphenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine
CID 6904582
(E)-4-(2-fluorophenyl)-3-[(E)-(4-methylsulfanylphenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine
CID 6904698
N-ethyl-3-[(4-methylsulfanylphenyl)methylideneamino]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine
CID 2110124

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(4-fluorophenyl)-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of N-cyclohexyl-4-(4-fluorophenyl)-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine (CID 23819351) is N-cyclohexyl-4-(4-fluorophenyl)-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for N-cyclohexyl-4-(4-fluorophenyl)-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for N-cyclohexyl-4-(4-fluorophenyl)-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine is Fc1ccc(-c2cs/c(=N\C3CCCCC3)n2N=Cc2cccs2)cc1.
What is the InChIKey of N-cyclohexyl-4-(4-fluorophenyl)-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The InChIKey is QVGDWJVNKXMXNW-PTAYIXMRSA-N. The full InChI is InChI=1S/C20H20FN3S2/c21-16-10-8-15(9-11-16)19-14-26-20(23-17-5-2-1-3-6-17)24(19)22-13-18-7-4-12-25-18/h4,7-14,17H,1-3,5-6H2/b22-13?,23-20-.
What are the key properties of N-cyclohexyl-4-(4-fluorophenyl)-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine?
N-cyclohexyl-4-(4-fluorophenyl)-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine has a molecular weight of 385.53 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(4-fluorophenyl)-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 23819351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).