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

C24H23N3OS3 — CID 23725870

IUPAC[4-[2-ethyl-4-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]imino-methyl-oxo-phenyl-λ6-sulfane
SMILESCCc1nc(-c2ccc(SC)cc2)c(-c2ccnc(N=S(C)(=O)c3ccccc3)c2)s1
InChIInChI=1S/C24H23N3OS3/c1-4-22-26-23(17-10-12-19(29-2)13-11-17)24(30-22)18-14-15-25-21(16-18)27-31(3,28)20-8-6-5-7-9-20/h5-16H,4H2,1-3H3
InChIKeyASPREJXPNGXFOH-UHFFFAOYSA-N
MW465.67 g/mol
LogP6.94
Rot. Bonds6

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

[4-[2-ethyl-4-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]imino-methyl-oxo-phenyl-λ6-sulfane (PubChem CID 23725870) has the molecular formula C24H23N3OS3 and a molecular weight of 465.67 g/mol. Its IUPAC name is [4-[2-ethyl-4-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]imino-methyl-oxo-phenyl-λ6-sulfane.

Molecular Properties

Compound Name[4-[2-ethyl-4-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]imino-methyl-oxo-phenyl-λ6-sulfane
PubChem CID23725870
Molecular FormulaC24H23N3OS3
Molecular Weight465.67 g/mol
Exact Mass465.10
IUPAC Name[4-[2-ethyl-4-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]imino-methyl-oxo-phenyl-λ6-sulfane
SMILESCCc1nc(-c2ccc(SC)cc2)c(-c2ccnc(N=S(C)(=O)c3ccccc3)c2)s1
InChIInChI=1S/C24H23N3OS3/c1-4-22-26-23(17-10-12-19(29-2)13-11-17)24(30-22)18-14-15-25-21(16-18)27-31(3,28)20-8-6-5-7-9-20/h5-16H,4H2,1-3H3
InChIKeyASPREJXPNGXFOH-UHFFFAOYSA-N
XLogP6.94
TPSA55.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.67
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[2-ethyl-4-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]imino-methyl-oxo-phenyl-λ6-sulfane with MolForge

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Related Compounds

[4-[2-ethyl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridinyl]imino-methyl-oxo-phenyl-λ6-sulfane;methanesulfonic acid
CID 23725225
CID 172823804
CID 172823804
dicyclohexyl-[[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]imino]-oxo-λ6-sulfane
CID 23725496
4-[2-ethyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-amine
CID 11536681
N-benzyl-4-[2-ethyl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]pyridin-2-amine
CID 67537630
4-[2-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]pyridin-2-amine
CID 11493332
2-ethyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole
CID 22911810
oxo-phenyl-[[4-(4-phenyl-1,3-thiazol-5-yl)-2-pyridinyl]imino]-propan-2-yl-λ6-sulfane
CID 23725223
2-chloro-5-(4-methylsulfanylphenyl)-4-phenyl-1,3-thiazole
CID 54283901
5-(2-chloro-4-pyridinyl)-2-ethyl-4-(3-methylphenyl)-1,3-thiazole
CID 11674063
2-ethyl-5-phenyl-4-pyridin-3-yl-1,3-thiazole
CID 22993797
2-(2-chlorophenyl)-4-(4-methylsulfanylphenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole
CID 54183581

Frequently Asked Questions

What is the IUPAC name of [4-[2-ethyl-4-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]imino-methyl-oxo-phenyl-λ6-sulfane?
The IUPAC name of [4-[2-ethyl-4-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]imino-methyl-oxo-phenyl-λ6-sulfane (CID 23725870) is [4-[2-ethyl-4-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]imino-methyl-oxo-phenyl-λ6-sulfane.
What is the SMILES notation for [4-[2-ethyl-4-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]imino-methyl-oxo-phenyl-λ6-sulfane?
The canonical SMILES for [4-[2-ethyl-4-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]imino-methyl-oxo-phenyl-λ6-sulfane is CCc1nc(-c2ccc(SC)cc2)c(-c2ccnc(N=S(C)(=O)c3ccccc3)c2)s1.
What is the InChIKey of [4-[2-ethyl-4-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]imino-methyl-oxo-phenyl-λ6-sulfane?
The InChIKey is ASPREJXPNGXFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3OS3/c1-4-22-26-23(17-10-12-19(29-2)13-11-17)24(30-22)18-14-15-25-21(16-18)27-31(3,28)20-8-6-5-7-9-20/h5-16H,4H2,1-3H3.
What are the key properties of [4-[2-ethyl-4-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]imino-methyl-oxo-phenyl-λ6-sulfane?
[4-[2-ethyl-4-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]imino-methyl-oxo-phenyl-λ6-sulfane has a molecular weight of 465.67 g/mol, XLogP of 6.94, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-ethyl-4-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]imino-methyl-oxo-phenyl-λ6-sulfane is sourced from PubChem (CID 23725870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).