oxo-phenyl-[[4-(4-phenyl-1,3-thiazol-5-yl)-2-pyridinyl]imino]-propan-2-yl-λ6-sulfane

C23H21N3OS2 — CID 23725223

IUPACoxo-phenyl-[[4-(4-phenyl-1,3-thiazol-5-yl)-2-pyridinyl]imino]-propan-2-yl-λ6-sulfane
SMILESCC(C)S(=O)(=Nc1cc(-c2scnc2-c2ccccc2)ccn1)c1ccccc1
InChIInChI=1S/C23H21N3OS2/c1-17(2)29(27,20-11-7-4-8-12-20)26-21-15-19(13-14-24-21)23-22(25-16-28-23)18-9-5-3-6-10-18/h3-17H,1-2H3
InChIKeyHJTKHAFRXXQUJB-UHFFFAOYSA-N
MW419.58 g/mol
LogP6.44
Rot. Bonds5

About oxo-phenyl-[[4-(4-phenyl-1,3-thiazol-5-yl)-2-pyridinyl]imino]-propan-2-yl-λ6-sulfane

oxo-phenyl-[[4-(4-phenyl-1,3-thiazol-5-yl)-2-pyridinyl]imino]-propan-2-yl-λ6-sulfane (PubChem CID 23725223) has the molecular formula C23H21N3OS2 and a molecular weight of 419.58 g/mol. Its IUPAC name is oxo-phenyl-[[4-(4-phenyl-1,3-thiazol-5-yl)-2-pyridinyl]imino]-propan-2-yl-λ6-sulfane.

Molecular Properties

Compound Nameoxo-phenyl-[[4-(4-phenyl-1,3-thiazol-5-yl)-2-pyridinyl]imino]-propan-2-yl-λ6-sulfane
PubChem CID23725223
Molecular FormulaC23H21N3OS2
Molecular Weight419.58 g/mol
Exact Mass419.11
IUPAC Nameoxo-phenyl-[[4-(4-phenyl-1,3-thiazol-5-yl)-2-pyridinyl]imino]-propan-2-yl-λ6-sulfane
SMILESCC(C)S(=O)(=Nc1cc(-c2scnc2-c2ccccc2)ccn1)c1ccccc1
InChIInChI=1S/C23H21N3OS2/c1-17(2)29(27,20-11-7-4-8-12-20)26-21-15-19(13-14-24-21)23-22(25-16-28-23)18-9-5-3-6-10-18/h3-17H,1-2H3
InChIKeyHJTKHAFRXXQUJB-UHFFFAOYSA-N
XLogP6.44
TPSA55.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.58
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[4-(3-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridinyl]imino-methyl-oxo-phenyl-λ6-sulfane
CID 23726035
[4-[2-ethyl-4-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]imino-methyl-oxo-phenyl-λ6-sulfane
CID 23725870
4-phenyl-[1,3]thiazolo[4,5-c]pyridine
CID 140819940
dicyclohexyl-[[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]imino]-oxo-λ6-sulfane
CID 23725496
CID 172823804
CID 172823804
4-(4-phenylphenyl)-1,3-thiazol-5-amine
CID 62081863
5-ethyl-3-(4-phenyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole
CID 67038628
4-phenyl-2-propan-2-ylpyridine
CID 59796805
5-phenyl-4-piperidin-1-ylsulfonyl-1,3-thiazole
CID 139582161
5-methoxy-1,3-benzothiazole-4,7-dione
CID 67392986
2-(4-phenyl-1,3-thiazol-5-yl)acetic acid
CID 28948458
ethane;4-phenyl-2-propan-2-ylpyridine
CID 170732086

Frequently Asked Questions

What is the IUPAC name of oxo-phenyl-[[4-(4-phenyl-1,3-thiazol-5-yl)-2-pyridinyl]imino]-propan-2-yl-λ6-sulfane?
The IUPAC name of oxo-phenyl-[[4-(4-phenyl-1,3-thiazol-5-yl)-2-pyridinyl]imino]-propan-2-yl-λ6-sulfane (CID 23725223) is oxo-phenyl-[[4-(4-phenyl-1,3-thiazol-5-yl)-2-pyridinyl]imino]-propan-2-yl-λ6-sulfane.
What is the SMILES notation for oxo-phenyl-[[4-(4-phenyl-1,3-thiazol-5-yl)-2-pyridinyl]imino]-propan-2-yl-λ6-sulfane?
The canonical SMILES for oxo-phenyl-[[4-(4-phenyl-1,3-thiazol-5-yl)-2-pyridinyl]imino]-propan-2-yl-λ6-sulfane is CC(C)S(=O)(=Nc1cc(-c2scnc2-c2ccccc2)ccn1)c1ccccc1.
What is the InChIKey of oxo-phenyl-[[4-(4-phenyl-1,3-thiazol-5-yl)-2-pyridinyl]imino]-propan-2-yl-λ6-sulfane?
The InChIKey is HJTKHAFRXXQUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3OS2/c1-17(2)29(27,20-11-7-4-8-12-20)26-21-15-19(13-14-24-21)23-22(25-16-28-23)18-9-5-3-6-10-18/h3-17H,1-2H3.
What are the key properties of oxo-phenyl-[[4-(4-phenyl-1,3-thiazol-5-yl)-2-pyridinyl]imino]-propan-2-yl-λ6-sulfane?
oxo-phenyl-[[4-(4-phenyl-1,3-thiazol-5-yl)-2-pyridinyl]imino]-propan-2-yl-λ6-sulfane has a molecular weight of 419.58 g/mol, XLogP of 6.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-phenyl-[[4-(4-phenyl-1,3-thiazol-5-yl)-2-pyridinyl]imino]-propan-2-yl-λ6-sulfane is sourced from PubChem (CID 23725223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).