5-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole

C23H24N4OS2 — CID 112782385

IUPAC5-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole
SMILESCOc1ccccc1-c1nnc(SCc2cnc(-c3ccc(C(C)C)cc3)s2)n1C
InChIInChI=1S/C23H24N4OS2/c1-15(2)16-9-11-17(12-10-16)22-24-13-18(30-22)14-29-23-26-25-21(27(23)3)19-7-5-6-8-20(19)28-4/h5-13,15H,14H2,1-4H3
InChIKeyIJGPXMRBGIBECB-UHFFFAOYSA-N
MW436.61 g/mol
LogP6.03
Rot. Bonds7

About 5-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole

5-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole (PubChem CID 112782385) has the molecular formula C23H24N4OS2 and a molecular weight of 436.61 g/mol. Its IUPAC name is 5-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name5-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole
PubChem CID112782385
Molecular FormulaC23H24N4OS2
Molecular Weight436.61 g/mol
Exact Mass436.14
IUPAC Name5-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole
SMILESCOc1ccccc1-c1nnc(SCc2cnc(-c3ccc(C(C)C)cc3)s2)n1C
InChIInChI=1S/C23H24N4OS2/c1-15(2)16-9-11-17(12-10-16)22-24-13-18(30-22)14-29-23-26-25-21(27(23)3)19-7-5-6-8-20(19)28-4/h5-13,15H,14H2,1-4H3
InChIKeyIJGPXMRBGIBECB-UHFFFAOYSA-N
XLogP6.03
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.61
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 78763772
3-[(4-tert-butylphenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-methyl-1,2,4-triazole
CID 7875467
3-[(2,4-dichlorophenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-methyl-1,2,4-triazole
CID 4819025
2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide
CID 7515663
4-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-ol
CID 110931380
4-[[5-(2-ethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 19731871
3-(2-methoxyphenyl)-5-[(4-phenylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole
CID 7897446
4-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-thiazole
CID 31102961
1-(2-methoxyphenyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 18078961
2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenothiazin-10-ylethanone
CID 2089777
3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(2-methoxyphenyl)-4-methyl-1,2,4-triazole
CID 27265055
6-chloro-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 4858868

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole?
The IUPAC name of 5-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole (CID 112782385) is 5-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole.
What is the SMILES notation for 5-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole?
The canonical SMILES for 5-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole is COc1ccccc1-c1nnc(SCc2cnc(-c3ccc(C(C)C)cc3)s2)n1C.
What is the InChIKey of 5-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole?
The InChIKey is IJGPXMRBGIBECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4OS2/c1-15(2)16-9-11-17(12-10-16)22-24-13-18(30-22)14-29-23-26-25-21(27(23)3)19-7-5-6-8-20(19)28-4/h5-13,15H,14H2,1-4H3.
What are the key properties of 5-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole?
5-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole has a molecular weight of 436.61 g/mol, XLogP of 6.03, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole is sourced from PubChem (CID 112782385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).