[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] N-phenylcarbamate

C19H14N4O2S — CID 1473291

IUPAC[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)ON=Cc1c(-c2ccccc2)nc2sccn12
InChIInChI=1S/C19H14N4O2S/c24-19(21-15-9-5-2-6-10-15)25-20-13-16-17(14-7-3-1-4-8-14)22-18-23(16)11-12-26-18/h1-13H,(H,21,24)
InChIKeyWYQDIFZPLWFHMA-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.65
Rot. Bonds4

About [(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] N-phenylcarbamate

[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] N-phenylcarbamate (PubChem CID 1473291) has the molecular formula C19H14N4O2S and a molecular weight of 362.41 g/mol. Its IUPAC name is [(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] N-phenylcarbamate.

Molecular Properties

Compound Name[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] N-phenylcarbamate
PubChem CID1473291
Molecular FormulaC19H14N4O2S
Molecular Weight362.41 g/mol
Exact Mass362.08
IUPAC Name[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)ON=Cc1c(-c2ccccc2)nc2sccn12
InChIInChI=1S/C19H14N4O2S/c24-19(21-15-9-5-2-6-10-15)25-20-13-16-17(14-7-3-1-4-8-14)22-18-23(16)11-12-26-18/h1-13H,(H,21,24)
InChIKeyWYQDIFZPLWFHMA-UHFFFAOYSA-N
XLogP4.65
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] N-(4-chlorophenyl)carbamate
CID 2799703
[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] 3,4-dichlorobenzoate
CID 1473296
[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] 3-(trifluoromethyl)benzoate
CID 1473288
2-[(E)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine
CID 5468547
2-[(E)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride
CID 5468546
2,4-dioxo-N-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-1H-pyrimidine-6-carboxamide
CID 2320147
2,4-dioxo-N-[(Z)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-1H-pyrimidine-6-carboxamide
CID 6256977
ethyl 3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate
CID 169481294
N-[4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-yl]acetamide
CID 44586769
2-[(E)-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
CID 45262277
2-[(Z)-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine
CID 57395520
2-[(Z)-[6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
CID 54612616

Frequently Asked Questions

What is the IUPAC name of [(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] N-phenylcarbamate?
The IUPAC name of [(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] N-phenylcarbamate (CID 1473291) is [(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] N-phenylcarbamate.
What is the SMILES notation for [(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] N-phenylcarbamate?
The canonical SMILES for [(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] N-phenylcarbamate is O=C(Nc1ccccc1)ON=Cc1c(-c2ccccc2)nc2sccn12.
What is the InChIKey of [(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] N-phenylcarbamate?
The InChIKey is WYQDIFZPLWFHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2S/c24-19(21-15-9-5-2-6-10-15)25-20-13-16-17(14-7-3-1-4-8-14)22-18-23(16)11-12-26-18/h1-13H,(H,21,24).
What are the key properties of [(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] N-phenylcarbamate?
[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] N-phenylcarbamate has a molecular weight of 362.41 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] N-phenylcarbamate is sourced from PubChem (CID 1473291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).