2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide

C18H13N5O4S — CID 6219676

IUPAC2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
SMILESO=C(Cc1cn2ccsc2n1)N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C18H13N5O4S/c24-17(9-13-11-22-7-8-28-18(22)20-13)21-19-10-15-5-6-16(27-15)12-1-3-14(4-2-12)23(25)26/h1-8,10-11H,9H2,(H,21,24)/b19-10-
InChIKeyKPRIRWNTJXZOKB-GRSHGNNSSA-N
MW395.40 g/mol
LogP3.26
Rot. Bonds6

About 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide

2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide (PubChem CID 6219676) has the molecular formula C18H13N5O4S and a molecular weight of 395.40 g/mol. Its IUPAC name is 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
PubChem CID6219676
Molecular FormulaC18H13N5O4S
Molecular Weight395.40 g/mol
Exact Mass395.07
IUPAC Name2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
SMILESO=C(Cc1cn2ccsc2n1)N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C18H13N5O4S/c24-17(9-13-11-22-7-8-28-18(22)20-13)21-19-10-15-5-6-16(27-15)12-1-3-14(4-2-12)23(25)26/h1-8,10-11H,9H2,(H,21,24)/b19-10-
InChIKeyKPRIRWNTJXZOKB-GRSHGNNSSA-N
XLogP3.26
TPSA115.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 6897039
2-(2,4-dimethylphenyl)-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 92657666
N-[(E)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-(4-nitrophenyl)acetamide
CID 21370500
2-benzylsulfanyl-N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 3948367
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 6031444
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 5333773
2-(2-nitrophenoxy)-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 6871801
2-(4-tert-butylphenoxy)-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 6898636
N-[2-[(2E)-2-[[5-(4-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
CID 171980358
2-(2,6-dibromo-4-methylphenoxy)-N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 3398773
2-(4-bromo-2,6-dimethylphenoxy)-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 5441243
N-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 129449448

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide?
The IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide (CID 6219676) is 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide.
What is the SMILES notation for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide?
The canonical SMILES for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide is O=C(Cc1cn2ccsc2n1)N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1.
What is the InChIKey of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide?
The InChIKey is KPRIRWNTJXZOKB-GRSHGNNSSA-N. The full InChI is InChI=1S/C18H13N5O4S/c24-17(9-13-11-22-7-8-28-18(22)20-13)21-19-10-15-5-6-16(27-15)12-1-3-14(4-2-12)23(25)26/h1-8,10-11H,9H2,(H,21,24)/b19-10-.
What are the key properties of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide?
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide has a molecular weight of 395.40 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide is sourced from PubChem (CID 6219676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).