4-[(2-methylpyrazol-3-yl)methylsulfonylmethyl]-2-propan-2-yl-1,3-thiazole

C12H17N3O2S2 — CID 99841298

IUPAC4-[(2-methylpyrazol-3-yl)methylsulfonylmethyl]-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1nc(CS(=O)(=O)Cc2ccnn2C)cs1
InChIInChI=1S/C12H17N3O2S2/c1-9(2)12-14-10(6-18-12)7-19(16,17)8-11-4-5-13-15(11)3/h4-6,9H,7-8H2,1-3H3
InChIKeyBZZUJEXMZOQFAQ-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.12
Rot. Bonds5

About 4-[(2-methylpyrazol-3-yl)methylsulfonylmethyl]-2-propan-2-yl-1,3-thiazole

4-[(2-methylpyrazol-3-yl)methylsulfonylmethyl]-2-propan-2-yl-1,3-thiazole (PubChem CID 99841298) has the molecular formula C12H17N3O2S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is 4-[(2-methylpyrazol-3-yl)methylsulfonylmethyl]-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[(2-methylpyrazol-3-yl)methylsulfonylmethyl]-2-propan-2-yl-1,3-thiazole
PubChem CID99841298
Molecular FormulaC12H17N3O2S2
Molecular Weight299.42 g/mol
Exact Mass299.08
IUPAC Name4-[(2-methylpyrazol-3-yl)methylsulfonylmethyl]-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1nc(CS(=O)(=O)Cc2ccnn2C)cs1
InChIInChI=1S/C12H17N3O2S2/c1-9(2)12-14-10(6-18-12)7-19(16,17)8-11-4-5-13-15(11)3/h4-6,9H,7-8H2,1-3H3
InChIKeyBZZUJEXMZOQFAQ-UHFFFAOYSA-N
XLogP2.12
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpyrazol-3-yl)methylsulfonylmethyl]-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 4-[(2-methylpyrazol-3-yl)methylsulfonylmethyl]-2-propan-2-yl-1,3-thiazole (CID 99841298) is 4-[(2-methylpyrazol-3-yl)methylsulfonylmethyl]-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 4-[(2-methylpyrazol-3-yl)methylsulfonylmethyl]-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 4-[(2-methylpyrazol-3-yl)methylsulfonylmethyl]-2-propan-2-yl-1,3-thiazole is CC(C)c1nc(CS(=O)(=O)Cc2ccnn2C)cs1.
What is the InChIKey of 4-[(2-methylpyrazol-3-yl)methylsulfonylmethyl]-2-propan-2-yl-1,3-thiazole?
The InChIKey is BZZUJEXMZOQFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S2/c1-9(2)12-14-10(6-18-12)7-19(16,17)8-11-4-5-13-15(11)3/h4-6,9H,7-8H2,1-3H3.
What are the key properties of 4-[(2-methylpyrazol-3-yl)methylsulfonylmethyl]-2-propan-2-yl-1,3-thiazole?
4-[(2-methylpyrazol-3-yl)methylsulfonylmethyl]-2-propan-2-yl-1,3-thiazole has a molecular weight of 299.42 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpyrazol-3-yl)methylsulfonylmethyl]-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 99841298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).