N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

C15H12N4O3S — CID 6031444

IUPACN-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESO=C(Cc1cn2ccsc2n1)N/N=C\c1ccc2c(c1)OCO2
InChIInChI=1S/C15H12N4O3S/c20-14(6-11-8-19-3-4-23-15(19)17-11)18-16-7-10-1-2-12-13(5-10)22-9-21-12/h1-5,7-8H,6,9H2,(H,18,20)/b16-7-
InChIKeyDDQPLQQYHKUHFF-APSNUPSMSA-N
MW328.35 g/mol
LogP1.82
Rot. Bonds4

About N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (PubChem CID 6031444) has the molecular formula C15H12N4O3S and a molecular weight of 328.35 g/mol. Its IUPAC name is N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
PubChem CID6031444
Molecular FormulaC15H12N4O3S
Molecular Weight328.35 g/mol
Exact Mass328.06
IUPAC NameN-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESO=C(Cc1cn2ccsc2n1)N/N=C\c1ccc2c(c1)OCO2
InChIInChI=1S/C15H12N4O3S/c20-14(6-11-8-19-3-4-23-15(19)17-11)18-16-7-10-1-2-12-13(5-10)22-9-21-12/h1-5,7-8H,6,9H2,(H,18,20)/b16-7-
InChIKeyDDQPLQQYHKUHFF-APSNUPSMSA-N
XLogP1.82
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Related Compounds

1-(1,3-benzodioxol-5-yl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea
CID 71942654
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-2-hydroxyacetamide
CID 4174508
N-(2-ethylbutylideneamino)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 3445626
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]acetamide
CID 5409751
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
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(4-chlorophenyl)sulfanylacetamide
CID 5410750
N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)hexanediamide
CID 3401753
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
CID 5424500
2-(1,3-benzodioxol-5-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 71938461
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(1,2-benzothiazol-3-yl)acetamide
CID 10593164
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]octanamide
CID 6890470
N-(1,3-benzodioxol-5-ylmethylideneamino)octadecanamide
CID 3845709

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The IUPAC name of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (CID 6031444) is N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.
What is the SMILES notation for N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The canonical SMILES for N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is O=C(Cc1cn2ccsc2n1)N/N=C\c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The InChIKey is DDQPLQQYHKUHFF-APSNUPSMSA-N. The full InChI is InChI=1S/C15H12N4O3S/c20-14(6-11-8-19-3-4-23-15(19)17-11)18-16-7-10-1-2-12-13(5-10)22-9-21-12/h1-5,7-8H,6,9H2,(H,18,20)/b16-7-.
What are the key properties of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide has a molecular weight of 328.35 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is sourced from PubChem (CID 6031444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).