N-ethyl-4-phenyl-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine

C16H16N4S — CID 135610385

IUPACN-ethyl-4-phenyl-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccccc2)n1N=Cc1ccc[nH]1
InChIInChI=1S/C16H16N4S/c1-2-17-16-20(19-11-14-9-6-10-18-14)15(12-21-16)13-7-4-3-5-8-13/h3-12,18H,2H2,1H3/b17-16-,19-11?
InChIKeyVRNNHHAJONCCCZ-BDFVUAOTSA-N
MW296.40 g/mol
LogP3.35
Rot. Bonds4

About N-ethyl-4-phenyl-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine

N-ethyl-4-phenyl-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine (PubChem CID 135610385) has the molecular formula C16H16N4S and a molecular weight of 296.40 g/mol. Its IUPAC name is N-ethyl-4-phenyl-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-ethyl-4-phenyl-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine
PubChem CID135610385
Molecular FormulaC16H16N4S
Molecular Weight296.40 g/mol
Exact Mass296.11
IUPAC NameN-ethyl-4-phenyl-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccccc2)n1N=Cc1ccc[nH]1
InChIInChI=1S/C16H16N4S/c1-2-17-16-20(19-11-14-9-6-10-18-14)15(12-21-16)13-7-4-3-5-8-13/h3-12,18H,2H2,1H3/b17-16-,19-11?
InChIKeyVRNNHHAJONCCCZ-BDFVUAOTSA-N
XLogP3.35
TPSA45.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-[(Z)-benzylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-2-imine
CID 7959634
N-ethyl-4-(furan-2-yl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 2459841
(Z)-N-ethyl-3-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-imine
CID 7959628
(Z)-N-ethyl-3-[(Z)-(2-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-imine
CID 7959639
4-(4-fluorophenyl)-N-methyl-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 135721992
4-[(2-ethylimino-4-phenyl-1,3-thiazol-3-yl)iminomethyl]benzonitrile
CID 23798582
(Z)-N-ethyl-3-[(Z)-(3-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-imine
CID 7974865
(E)-N-ethyl-4-(4-fluorophenyl)-3-[(E)-(2-iodophenyl)methylideneamino]-1,3-thiazol-2-imine
CID 6901226
N-(2,4-dimethylphenyl)-4-(4-methylphenyl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 135600778
4-(4-bromophenyl)-3-[(2-chlorophenyl)methylideneamino]-N-ethyl-1,3-thiazol-2-imine
CID 3464210
6-[2-(2-phenylethylimino)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 135736793
3-(cyclohexylideneamino)-N-ethyl-4-phenyl-1,3-thiazol-2-imine
CID 7974852

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-phenyl-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of N-ethyl-4-phenyl-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine (CID 135610385) is N-ethyl-4-phenyl-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for N-ethyl-4-phenyl-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for N-ethyl-4-phenyl-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine is CC/N=c1\scc(-c2ccccc2)n1N=Cc1ccc[nH]1.
What is the InChIKey of N-ethyl-4-phenyl-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The InChIKey is VRNNHHAJONCCCZ-BDFVUAOTSA-N. The full InChI is InChI=1S/C16H16N4S/c1-2-17-16-20(19-11-14-9-6-10-18-14)15(12-21-16)13-7-4-3-5-8-13/h3-12,18H,2H2,1H3/b17-16-,19-11?.
What are the key properties of N-ethyl-4-phenyl-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine?
N-ethyl-4-phenyl-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine has a molecular weight of 296.40 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-phenyl-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 135610385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).