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

C17H20FN3S — CID 23760923

IUPACN-cyclohexyl-3-[(3-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-imine
SMILESCc1cs/c(=N\C2CCCCC2)n1N=Cc1cccc(F)c1
InChIInChI=1S/C17H20FN3S/c1-13-12-22-17(20-16-8-3-2-4-9-16)21(13)19-11-14-6-5-7-15(18)10-14/h5-7,10-12,16H,2-4,8-9H2,1H3/b19-11?,20-17-
InChIKeyMENHRPGTXNFVLB-MSEQFMHASA-N
MW317.43 g/mol
LogP4.11
Rot. Bonds3

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

N-cyclohexyl-3-[(3-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-imine (PubChem CID 23760923) has the molecular formula C17H20FN3S and a molecular weight of 317.43 g/mol. Its IUPAC name is N-cyclohexyl-3-[(3-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-cyclohexyl-3-[(3-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-imine
PubChem CID23760923
Molecular FormulaC17H20FN3S
Molecular Weight317.43 g/mol
Exact Mass317.14
IUPAC NameN-cyclohexyl-3-[(3-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-imine
SMILESCc1cs/c(=N\C2CCCCC2)n1N=Cc1cccc(F)c1
InChIInChI=1S/C17H20FN3S/c1-13-12-22-17(20-16-8-3-2-4-9-16)21(13)19-11-14-6-5-7-15(18)10-14/h5-7,10-12,16H,2-4,8-9H2,1H3/b19-11?,20-17-
InChIKeyMENHRPGTXNFVLB-MSEQFMHASA-N
XLogP4.11
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.11
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 N-cyclohexyl-3-[(3-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-imine?
The IUPAC name of N-cyclohexyl-3-[(3-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-imine (CID 23760923) is N-cyclohexyl-3-[(3-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-imine.
What is the SMILES notation for N-cyclohexyl-3-[(3-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-imine?
The canonical SMILES for N-cyclohexyl-3-[(3-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-imine is Cc1cs/c(=N\C2CCCCC2)n1N=Cc1cccc(F)c1.
What is the InChIKey of N-cyclohexyl-3-[(3-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-imine?
The InChIKey is MENHRPGTXNFVLB-MSEQFMHASA-N. The full InChI is InChI=1S/C17H20FN3S/c1-13-12-22-17(20-16-8-3-2-4-9-16)21(13)19-11-14-6-5-7-15(18)10-14/h5-7,10-12,16H,2-4,8-9H2,1H3/b19-11?,20-17-.
What are the key properties of N-cyclohexyl-3-[(3-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-imine?
N-cyclohexyl-3-[(3-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-imine has a molecular weight of 317.43 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[(3-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-imine is sourced from PubChem (CID 23760923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).