(E)-N-cyclohexyl-4-methyl-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine

C20H27N3O3S — CID 71761266

IUPAC(E)-N-cyclohexyl-4-methyl-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
SMILESCOc1cc(/C=N/n2c(C)cs/c2=N\C2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C20H27N3O3S/c1-14-13-27-20(22-16-8-6-5-7-9-16)23(14)21-12-15-10-17(24-2)19(26-4)18(11-15)25-3/h10-13,16H,5-9H2,1-4H3/b21-12+,22-20-
InChIKeyGJFMUNIKFQWDNW-KJPDKSBHSA-N
MW389.52 g/mol
LogP4.00
Rot. Bonds6

About (E)-N-cyclohexyl-4-methyl-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine

(E)-N-cyclohexyl-4-methyl-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine (PubChem CID 71761266) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is (E)-N-cyclohexyl-4-methyl-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(E)-N-cyclohexyl-4-methyl-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
PubChem CID71761266
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name(E)-N-cyclohexyl-4-methyl-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
SMILESCOc1cc(/C=N/n2c(C)cs/c2=N\C2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C20H27N3O3S/c1-14-13-27-20(22-16-8-6-5-7-9-16)23(14)21-12-15-10-17(24-2)19(26-4)18(11-15)25-3/h10-13,16H,5-9H2,1-4H3/b21-12+,22-20-
InChIKeyGJFMUNIKFQWDNW-KJPDKSBHSA-N
XLogP4.00
TPSA57.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 (E)-N-cyclohexyl-4-methyl-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of (E)-N-cyclohexyl-4-methyl-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine (CID 71761266) is (E)-N-cyclohexyl-4-methyl-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for (E)-N-cyclohexyl-4-methyl-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for (E)-N-cyclohexyl-4-methyl-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine is COc1cc(/C=N/n2c(C)cs/c2=N\C2CCCCC2)cc(OC)c1OC.
What is the InChIKey of (E)-N-cyclohexyl-4-methyl-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine?
The InChIKey is GJFMUNIKFQWDNW-KJPDKSBHSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-14-13-27-20(22-16-8-6-5-7-9-16)23(14)21-12-15-10-17(24-2)19(26-4)18(11-15)25-3/h10-13,16H,5-9H2,1-4H3/b21-12+,22-20-.
What are the key properties of (E)-N-cyclohexyl-4-methyl-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine?
(E)-N-cyclohexyl-4-methyl-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine has a molecular weight of 389.52 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclohexyl-4-methyl-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 71761266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).