phenyl-[4-(thiophen-2-ylmethylideneamino)phenyl]methanone

C18H13NOS — CID 10779931

IUPACphenyl-[4-(thiophen-2-ylmethylideneamino)phenyl]methanone
SMILESO=C(c1ccccc1)c1ccc(/N=C/c2cccs2)cc1
InChIInChI=1S/C18H13NOS/c20-18(14-5-2-1-3-6-14)15-8-10-16(11-9-15)19-13-17-7-4-12-21-17/h1-13H/b19-13+
InChIKeyAQRKPWZWTJHEOI-CPNJWEJPSA-N
MW291.38 g/mol
LogP4.73
Rot. Bonds4

About phenyl-[4-(thiophen-2-ylmethylideneamino)phenyl]methanone

phenyl-[4-(thiophen-2-ylmethylideneamino)phenyl]methanone (PubChem CID 10779931) has the molecular formula C18H13NOS and a molecular weight of 291.38 g/mol. Its IUPAC name is phenyl-[4-(thiophen-2-ylmethylideneamino)phenyl]methanone.

Molecular Properties

Compound Namephenyl-[4-(thiophen-2-ylmethylideneamino)phenyl]methanone
PubChem CID10779931
Molecular FormulaC18H13NOS
Molecular Weight291.38 g/mol
Exact Mass291.07
IUPAC Namephenyl-[4-(thiophen-2-ylmethylideneamino)phenyl]methanone
SMILESO=C(c1ccccc1)c1ccc(/N=C/c2cccs2)cc1
InChIInChI=1S/C18H13NOS/c20-18(14-5-2-1-3-6-14)15-8-10-16(11-9-15)19-13-17-7-4-12-21-17/h1-13H/b19-13+
InChIKeyAQRKPWZWTJHEOI-CPNJWEJPSA-N
XLogP4.73
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 phenyl-[4-(thiophen-2-ylmethylideneamino)phenyl]methanone?
The IUPAC name of phenyl-[4-(thiophen-2-ylmethylideneamino)phenyl]methanone (CID 10779931) is phenyl-[4-(thiophen-2-ylmethylideneamino)phenyl]methanone.
What is the SMILES notation for phenyl-[4-(thiophen-2-ylmethylideneamino)phenyl]methanone?
The canonical SMILES for phenyl-[4-(thiophen-2-ylmethylideneamino)phenyl]methanone is O=C(c1ccccc1)c1ccc(/N=C/c2cccs2)cc1.
What is the InChIKey of phenyl-[4-(thiophen-2-ylmethylideneamino)phenyl]methanone?
The InChIKey is AQRKPWZWTJHEOI-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H13NOS/c20-18(14-5-2-1-3-6-14)15-8-10-16(11-9-15)19-13-17-7-4-12-21-17/h1-13H/b19-13+.
What are the key properties of phenyl-[4-(thiophen-2-ylmethylideneamino)phenyl]methanone?
phenyl-[4-(thiophen-2-ylmethylideneamino)phenyl]methanone has a molecular weight of 291.38 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-(thiophen-2-ylmethylideneamino)phenyl]methanone is sourced from PubChem (CID 10779931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).