ethyne;2-phenyl-4-(4-propylphenyl)-1,3-thiazole;vanadium(2+)

C20H17NSV — CID 20679149

IUPACethyne;2-phenyl-4-(4-propylphenyl)-1,3-thiazole;vanadium(2+)
SMILES[C-]#C.[CH2-]CCc1ccc(-c2csc(-c3ccccc3)n2)cc1.[V+2]
InChIInChI=1S/C18H16NS.C2H.V/c1-2-6-14-9-11-15(12-10-14)17-13-20-18(19-17)16-7-4-3-5-8-16;1-2;/h3-5,7-13H,1-2,6H2;1H;/q2*-1;+2
InChIKeyNRUOGSXSSVTTTG-UHFFFAOYSA-N
MW354.37 g/mol
LogP5.45
Rot. Bonds4

About ethyne;2-phenyl-4-(4-propylphenyl)-1,3-thiazole;vanadium(2+)

ethyne;2-phenyl-4-(4-propylphenyl)-1,3-thiazole;vanadium(2+) (PubChem CID 20679149) has the molecular formula C20H17NSV and a molecular weight of 354.37 g/mol. Its IUPAC name is ethyne;2-phenyl-4-(4-propylphenyl)-1,3-thiazole;vanadium(2+).

Molecular Properties

Compound Nameethyne;2-phenyl-4-(4-propylphenyl)-1,3-thiazole;vanadium(2+)
PubChem CID20679149
Molecular FormulaC20H17NSV
Molecular Weight354.37 g/mol
Exact Mass354.05
IUPAC Nameethyne;2-phenyl-4-(4-propylphenyl)-1,3-thiazole;vanadium(2+)
SMILES[C-]#C.[CH2-]CCc1ccc(-c2csc(-c3ccccc3)n2)cc1.[V+2]
InChIInChI=1S/C18H16NS.C2H.V/c1-2-6-14-9-11-15(12-10-14)17-13-20-18(19-17)16-7-4-3-5-8-16;1-2;/h3-5,7-13H,1-2,6H2;1H;/q2*-1;+2
InChIKeyNRUOGSXSSVTTTG-UHFFFAOYSA-N
XLogP5.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.37
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;4-[4-(2-iodoethyl)phenyl]-2-phenyl-1,3-thiazole
CID 54249717
2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide
CID 171114672
2-methyl-4-[4-(2-phenylethyl)phenyl]-1,3-thiazole
CID 174868608
4-[4-(4-propylphenyl)-1,3-thiazol-2-yl]aniline
CID 43667849
2-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108739717
4-[4-(2-phenylethyl)phenyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole
CID 159855197
4-[2-(4-methylphenyl)ethyl]-2-phenyl-1,3-thiazole
CID 155185709
2-phenoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108739624
4-(4-phenyl-1,3-thiazol-2-yl)benzene-1,2-diol
CID 169215045
4-(4-ethylphenyl)-2-pyridin-3-yl-1,3-thiazole
CID 849786
[4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methanamine
CID 63152339
4-methyl-2-phenyl-5-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]-1,3-thiazole
CID 139226873

Frequently Asked Questions

What is the IUPAC name of ethyne;2-phenyl-4-(4-propylphenyl)-1,3-thiazole;vanadium(2+)?
The IUPAC name of ethyne;2-phenyl-4-(4-propylphenyl)-1,3-thiazole;vanadium(2+) (CID 20679149) is ethyne;2-phenyl-4-(4-propylphenyl)-1,3-thiazole;vanadium(2+).
What is the SMILES notation for ethyne;2-phenyl-4-(4-propylphenyl)-1,3-thiazole;vanadium(2+)?
The canonical SMILES for ethyne;2-phenyl-4-(4-propylphenyl)-1,3-thiazole;vanadium(2+) is [C-]#C.[CH2-]CCc1ccc(-c2csc(-c3ccccc3)n2)cc1.[V+2].
What is the InChIKey of ethyne;2-phenyl-4-(4-propylphenyl)-1,3-thiazole;vanadium(2+)?
The InChIKey is NRUOGSXSSVTTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16NS.C2H.V/c1-2-6-14-9-11-15(12-10-14)17-13-20-18(19-17)16-7-4-3-5-8-16;1-2;/h3-5,7-13H,1-2,6H2;1H;/q2*-1;+2.
What are the key properties of ethyne;2-phenyl-4-(4-propylphenyl)-1,3-thiazole;vanadium(2+)?
ethyne;2-phenyl-4-(4-propylphenyl)-1,3-thiazole;vanadium(2+) has a molecular weight of 354.37 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyne;2-phenyl-4-(4-propylphenyl)-1,3-thiazole;vanadium(2+) is sourced from PubChem (CID 20679149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).