3-[5-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol

C16H14N4OS — CID 89410371

IUPAC3-[5-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol
SMILESC=N/C=C\C(=N/C)c1c(-c2cccc(O)c2)nc2sccn12
InChIInChI=1S/C16H14N4OS/c1-17-7-6-13(18-2)15-14(11-4-3-5-12(21)10-11)19-16-20(15)8-9-22-16/h3-10,21H,1H2,2H3/b7-6-,18-13+
InChIKeyUIGJSVXGDIEREG-OAQRBTKNSA-N
MW310.38 g/mol
LogP3.40
Rot. Bonds4

About 3-[5-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol

3-[5-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol (PubChem CID 89410371) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is 3-[5-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol.

Molecular Properties

Compound Name3-[5-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol
PubChem CID89410371
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC Name3-[5-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol
SMILESC=N/C=C\C(=N/C)c1c(-c2cccc(O)c2)nc2sccn12
InChIInChI=1S/C16H14N4OS/c1-17-7-6-13(18-2)15-14(11-4-3-5-12(21)10-11)19-16-20(15)8-9-22-16/h3-10,21H,1H2,2H3/b7-6-,18-13+
InChIKeyUIGJSVXGDIEREG-OAQRBTKNSA-N
XLogP3.40
TPSA62.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
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 3-[5-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol?
The IUPAC name of 3-[5-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol (CID 89410371) is 3-[5-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol.
What is the SMILES notation for 3-[5-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol?
The canonical SMILES for 3-[5-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol is C=N/C=C\C(=N/C)c1c(-c2cccc(O)c2)nc2sccn12.
What is the InChIKey of 3-[5-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol?
The InChIKey is UIGJSVXGDIEREG-OAQRBTKNSA-N. The full InChI is InChI=1S/C16H14N4OS/c1-17-7-6-13(18-2)15-14(11-4-3-5-12(21)10-11)19-16-20(15)8-9-22-16/h3-10,21H,1H2,2H3/b7-6-,18-13+.
What are the key properties of 3-[5-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol?
3-[5-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol has a molecular weight of 310.38 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol is sourced from PubChem (CID 89410371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).