N-cyclohexyl-4-(2-methoxyphenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine

C22H24N4OS — CID 23878887

IUPACN-cyclohexyl-4-(2-methoxyphenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESCOc1ccccc1-c1cs/c(=N\C2CCCCC2)n1N=Cc1cccnc1
InChIInChI=1S/C22H24N4OS/c1-27-21-12-6-5-11-19(21)20-16-28-22(25-18-9-3-2-4-10-18)26(20)24-15-17-8-7-13-23-14-17/h5-8,11-16,18H,2-4,9-10H2,1H3/b24-15?,25-22-
InChIKeyHWMBGGWWLQKQOK-XIFUBYQZSA-N
MW392.53 g/mol
LogP4.74
Rot. Bonds5

About N-cyclohexyl-4-(2-methoxyphenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine

N-cyclohexyl-4-(2-methoxyphenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine (PubChem CID 23878887) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is N-cyclohexyl-4-(2-methoxyphenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-cyclohexyl-4-(2-methoxyphenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine
PubChem CID23878887
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC NameN-cyclohexyl-4-(2-methoxyphenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESCOc1ccccc1-c1cs/c(=N\C2CCCCC2)n1N=Cc1cccnc1
InChIInChI=1S/C22H24N4OS/c1-27-21-12-6-5-11-19(21)20-16-28-22(25-18-9-3-2-4-10-18)26(20)24-15-17-8-7-13-23-14-17/h5-8,11-16,18H,2-4,9-10H2,1H3/b24-15?,25-22-
InChIKeyHWMBGGWWLQKQOK-XIFUBYQZSA-N
XLogP4.74
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-4-(2-methoxyphenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of N-cyclohexyl-4-(2-methoxyphenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine (CID 23878887) is N-cyclohexyl-4-(2-methoxyphenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for N-cyclohexyl-4-(2-methoxyphenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for N-cyclohexyl-4-(2-methoxyphenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine is COc1ccccc1-c1cs/c(=N\C2CCCCC2)n1N=Cc1cccnc1.
What is the InChIKey of N-cyclohexyl-4-(2-methoxyphenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine?
The InChIKey is HWMBGGWWLQKQOK-XIFUBYQZSA-N. The full InChI is InChI=1S/C22H24N4OS/c1-27-21-12-6-5-11-19(21)20-16-28-22(25-18-9-3-2-4-10-18)26(20)24-15-17-8-7-13-23-14-17/h5-8,11-16,18H,2-4,9-10H2,1H3/b24-15?,25-22-.
What are the key properties of N-cyclohexyl-4-(2-methoxyphenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine?
N-cyclohexyl-4-(2-methoxyphenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine has a molecular weight of 392.53 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(2-methoxyphenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 23878887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).