2-[[4-(4-methylphenyl)-1H-pyrazol-5-yl]sulfonylmethyl]-4,5-dihydro-1,3-thiazole

C14H15N3O2S2 — CID 56640977

IUPAC2-[[4-(4-methylphenyl)-1H-pyrazol-5-yl]sulfonylmethyl]-4,5-dihydro-1,3-thiazole
SMILESCc1ccc(-c2cn[nH]c2S(=O)(=O)CC2=NCCS2)cc1
InChIInChI=1S/C14H15N3O2S2/c1-10-2-4-11(5-3-10)12-8-16-17-14(12)21(18,19)9-13-15-6-7-20-13/h2-5,8H,6-7,9H2,1H3,(H,16,17)
InChIKeyADDMYRZUCUNZBQ-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.30
Rot. Bonds4

About 2-[[4-(4-methylphenyl)-1H-pyrazol-5-yl]sulfonylmethyl]-4,5-dihydro-1,3-thiazole

2-[[4-(4-methylphenyl)-1H-pyrazol-5-yl]sulfonylmethyl]-4,5-dihydro-1,3-thiazole (PubChem CID 56640977) has the molecular formula C14H15N3O2S2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 2-[[4-(4-methylphenyl)-1H-pyrazol-5-yl]sulfonylmethyl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-[[4-(4-methylphenyl)-1H-pyrazol-5-yl]sulfonylmethyl]-4,5-dihydro-1,3-thiazole
PubChem CID56640977
Molecular FormulaC14H15N3O2S2
Molecular Weight321.43 g/mol
Exact Mass321.06
IUPAC Name2-[[4-(4-methylphenyl)-1H-pyrazol-5-yl]sulfonylmethyl]-4,5-dihydro-1,3-thiazole
SMILESCc1ccc(-c2cn[nH]c2S(=O)(=O)CC2=NCCS2)cc1
InChIInChI=1S/C14H15N3O2S2/c1-10-2-4-11(5-3-10)12-8-16-17-14(12)21(18,19)9-13-15-6-7-20-13/h2-5,8H,6-7,9H2,1H3,(H,16,17)
InChIKeyADDMYRZUCUNZBQ-UHFFFAOYSA-N
XLogP2.30
TPSA75.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[4-(4-methylphenyl)-1H-pyrazol-5-yl]sulfonylmethyl]-4,5-dihydro-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-methylphenyl)-1H-pyrazol-5-yl]sulfonylmethyl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-[[4-(4-methylphenyl)-1H-pyrazol-5-yl]sulfonylmethyl]-4,5-dihydro-1,3-thiazole (CID 56640977) is 2-[[4-(4-methylphenyl)-1H-pyrazol-5-yl]sulfonylmethyl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-[[4-(4-methylphenyl)-1H-pyrazol-5-yl]sulfonylmethyl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-[[4-(4-methylphenyl)-1H-pyrazol-5-yl]sulfonylmethyl]-4,5-dihydro-1,3-thiazole is Cc1ccc(-c2cn[nH]c2S(=O)(=O)CC2=NCCS2)cc1.
What is the InChIKey of 2-[[4-(4-methylphenyl)-1H-pyrazol-5-yl]sulfonylmethyl]-4,5-dihydro-1,3-thiazole?
The InChIKey is ADDMYRZUCUNZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S2/c1-10-2-4-11(5-3-10)12-8-16-17-14(12)21(18,19)9-13-15-6-7-20-13/h2-5,8H,6-7,9H2,1H3,(H,16,17).
What are the key properties of 2-[[4-(4-methylphenyl)-1H-pyrazol-5-yl]sulfonylmethyl]-4,5-dihydro-1,3-thiazole?
2-[[4-(4-methylphenyl)-1H-pyrazol-5-yl]sulfonylmethyl]-4,5-dihydro-1,3-thiazole has a molecular weight of 321.43 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-methylphenyl)-1H-pyrazol-5-yl]sulfonylmethyl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 56640977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).