N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide

C20H22N6O2S — CID 6042005

IUPACN-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide
SMILESC/C(=N/NC(=O)Cc1csc(N2CCOCC2)n1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C20H22N6O2S/c1-15(16-2-4-18(5-3-16)26-7-6-21-14-26)23-24-19(27)12-17-13-29-20(22-17)25-8-10-28-11-9-25/h2-7,13-14H,8-12H2,1H3,(H,24,27)/b23-15-
InChIKeyHOSAUSDPWCFZEZ-HAHDFKILSA-N
MW410.50 g/mol
LogP2.25
Rot. Bonds6

About N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide

N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 6042005) has the molecular formula C20H22N6O2S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide
PubChem CID6042005
Molecular FormulaC20H22N6O2S
Molecular Weight410.50 g/mol
Exact Mass410.15
IUPAC NameN-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide
SMILESC/C(=N/NC(=O)Cc1csc(N2CCOCC2)n1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C20H22N6O2S/c1-15(16-2-4-18(5-3-16)26-7-6-21-14-26)23-24-19(27)12-17-13-29-20(22-17)25-8-10-28-11-9-25/h2-7,13-14H,8-12H2,1H3,(H,24,27)/b23-15-
InChIKeyHOSAUSDPWCFZEZ-HAHDFKILSA-N
XLogP2.25
TPSA84.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide (CID 6042005) is N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide is C/C(=N/NC(=O)Cc1csc(N2CCOCC2)n1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is HOSAUSDPWCFZEZ-HAHDFKILSA-N. The full InChI is InChI=1S/C20H22N6O2S/c1-15(16-2-4-18(5-3-16)26-7-6-21-14-26)23-24-19(27)12-17-13-29-20(22-17)25-8-10-28-11-9-25/h2-7,13-14H,8-12H2,1H3,(H,24,27)/b23-15-.
What are the key properties of N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide?
N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 410.50 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 6042005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).