2-(1-methylpyrazol-3-yl)-4-[(3-methylsulfonylazetidin-1-yl)methyl]-1,3-thiazole

C12H16N4O2S2 — CID 146140551

IUPAC2-(1-methylpyrazol-3-yl)-4-[(3-methylsulfonylazetidin-1-yl)methyl]-1,3-thiazole
SMILESCn1ccc(-c2nc(CN3CC(S(C)(=O)=O)C3)cs2)n1
InChIInChI=1S/C12H16N4O2S2/c1-15-4-3-11(14-15)12-13-9(8-19-12)5-16-6-10(7-16)20(2,17)18/h3-4,8,10H,5-7H2,1-2H3
InChIKeyUDZALGHOFZPJEO-UHFFFAOYSA-N
MW312.42 g/mol
LogP0.77
Rot. Bonds4

About 2-(1-methylpyrazol-3-yl)-4-[(3-methylsulfonylazetidin-1-yl)methyl]-1,3-thiazole

2-(1-methylpyrazol-3-yl)-4-[(3-methylsulfonylazetidin-1-yl)methyl]-1,3-thiazole (PubChem CID 146140551) has the molecular formula C12H16N4O2S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-(1-methylpyrazol-3-yl)-4-[(3-methylsulfonylazetidin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(1-methylpyrazol-3-yl)-4-[(3-methylsulfonylazetidin-1-yl)methyl]-1,3-thiazole
PubChem CID146140551
Molecular FormulaC12H16N4O2S2
Molecular Weight312.42 g/mol
Exact Mass312.07
IUPAC Name2-(1-methylpyrazol-3-yl)-4-[(3-methylsulfonylazetidin-1-yl)methyl]-1,3-thiazole
SMILESCn1ccc(-c2nc(CN3CC(S(C)(=O)=O)C3)cs2)n1
InChIInChI=1S/C12H16N4O2S2/c1-15-4-3-11(14-15)12-13-9(8-19-12)5-16-6-10(7-16)20(2,17)18/h3-4,8,10H,5-7H2,1-2H3
InChIKeyUDZALGHOFZPJEO-UHFFFAOYSA-N
XLogP0.77
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-3-yl)-4-[(3-methylsulfonylazetidin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-(1-methylpyrazol-3-yl)-4-[(3-methylsulfonylazetidin-1-yl)methyl]-1,3-thiazole (CID 146140551) is 2-(1-methylpyrazol-3-yl)-4-[(3-methylsulfonylazetidin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-(1-methylpyrazol-3-yl)-4-[(3-methylsulfonylazetidin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-(1-methylpyrazol-3-yl)-4-[(3-methylsulfonylazetidin-1-yl)methyl]-1,3-thiazole is Cn1ccc(-c2nc(CN3CC(S(C)(=O)=O)C3)cs2)n1.
What is the InChIKey of 2-(1-methylpyrazol-3-yl)-4-[(3-methylsulfonylazetidin-1-yl)methyl]-1,3-thiazole?
The InChIKey is UDZALGHOFZPJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S2/c1-15-4-3-11(14-15)12-13-9(8-19-12)5-16-6-10(7-16)20(2,17)18/h3-4,8,10H,5-7H2,1-2H3.
What are the key properties of 2-(1-methylpyrazol-3-yl)-4-[(3-methylsulfonylazetidin-1-yl)methyl]-1,3-thiazole?
2-(1-methylpyrazol-3-yl)-4-[(3-methylsulfonylazetidin-1-yl)methyl]-1,3-thiazole has a molecular weight of 312.42 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-3-yl)-4-[(3-methylsulfonylazetidin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 146140551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).