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

C16H18N4S2 — CID 78763772

IUPAC5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole
SMILESCC(C)c1ccc(-c2ncc(CSc3nncn3C)s2)cc1
InChIInChI=1S/C16H18N4S2/c1-11(2)12-4-6-13(7-5-12)15-17-8-14(22-15)9-21-16-19-18-10-20(16)3/h4-8,10-11H,9H2,1-3H3
InChIKeyATJMPKAKUOZTKD-UHFFFAOYSA-N
MW330.48 g/mol
LogP4.35
Rot. Bonds5

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

5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole (PubChem CID 78763772) has the molecular formula C16H18N4S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole
PubChem CID78763772
Molecular FormulaC16H18N4S2
Molecular Weight330.48 g/mol
Exact Mass330.10
IUPAC Name5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole
SMILESCC(C)c1ccc(-c2ncc(CSc3nncn3C)s2)cc1
InChIInChI=1S/C16H18N4S2/c1-11(2)12-4-6-13(7-5-12)15-17-8-14(22-15)9-21-16-19-18-10-20(16)3/h4-8,10-11H,9H2,1-3H3
InChIKeyATJMPKAKUOZTKD-UHFFFAOYSA-N
XLogP4.35
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 78760424
4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 7866892
5-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 112782385
(5Z)-3-(4-methylphenyl)-5-[(4-propan-2-ylphenyl)methylidene]-2-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methylsulfanyl]imidazol-4-one
CID 6236331
2-methoxy-N-(2-methoxyethyl)-N-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 78807147
4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]benzamide
CID 9239679
5-(4-chlorophenyl)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 46604428
3-ethylsulfanyl-4-methyl-1,2,4-triazole
CID 5151328
3-[(3-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole
CID 889614
4-methyl-3-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole
CID 6465462
2-(4-propan-2-ylphenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 78787507
1-(4-aminophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanol
CID 62266642

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole?
The IUPAC name of 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole (CID 78763772) is 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole.
What is the SMILES notation for 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole?
The canonical SMILES for 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole is CC(C)c1ccc(-c2ncc(CSc3nncn3C)s2)cc1.
What is the InChIKey of 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole?
The InChIKey is ATJMPKAKUOZTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S2/c1-11(2)12-4-6-13(7-5-12)15-17-8-14(22-15)9-21-16-19-18-10-20(16)3/h4-8,10-11H,9H2,1-3H3.
What are the key properties of 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole?
5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole has a molecular weight of 330.48 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole is sourced from PubChem (CID 78763772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).