2-(3-methylsulfanyl-1-phenylpyrazol-4-yl)-4-phenyl-1,3-thiazole

C19H15N3S2 — CID 2822356

IUPAC2-(3-methylsulfanyl-1-phenylpyrazol-4-yl)-4-phenyl-1,3-thiazole
SMILESCSc1nn(-c2ccccc2)cc1-c1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H15N3S2/c1-23-19-16(12-22(21-19)15-10-6-3-7-11-15)18-20-17(13-24-18)14-8-4-2-5-9-14/h2-13H,1H3
InChIKeyPPULGEZXKVDKSX-UHFFFAOYSA-N
MW349.48 g/mol
LogP5.38
Rot. Bonds4

About 2-(3-methylsulfanyl-1-phenylpyrazol-4-yl)-4-phenyl-1,3-thiazole

2-(3-methylsulfanyl-1-phenylpyrazol-4-yl)-4-phenyl-1,3-thiazole (PubChem CID 2822356) has the molecular formula C19H15N3S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-(3-methylsulfanyl-1-phenylpyrazol-4-yl)-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-(3-methylsulfanyl-1-phenylpyrazol-4-yl)-4-phenyl-1,3-thiazole
PubChem CID2822356
Molecular FormulaC19H15N3S2
Molecular Weight349.48 g/mol
Exact Mass349.07
IUPAC Name2-(3-methylsulfanyl-1-phenylpyrazol-4-yl)-4-phenyl-1,3-thiazole
SMILESCSc1nn(-c2ccccc2)cc1-c1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H15N3S2/c1-23-19-16(12-22(21-19)15-10-6-3-7-11-15)18-20-17(13-24-18)14-8-4-2-5-9-14/h2-13H,1H3
InChIKeyPPULGEZXKVDKSX-UHFFFAOYSA-N
XLogP5.38
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.48
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Phenyl-2-(pyridin-3-yl)thiazole
CID 701015
Phenyl-5-(1H-pyrazol-3-YL)-1,3-thiazole
CID 2763788
4-methyl-2-phenyl-5-(1H-pyrazol-3-yl)-1,3-thiazole
CID 1480004
5-Methylsulfanyl-4-[4-(1-phenyl-5-propyl-1H-pyrazol-4-yl)-thiazol-2-yl]-thiophene-2-carboxamidine
CID 18672225
4-phenyl-2-(1H-pyrazol-1-yl)-1,3-thiazole
CID 1481751
4-(4-Phenyl-1,3-thiazol-2-yl)-2-propylpyridine
CID 619958
5-[1-(Benzenesulfonyl)-3-pyrazolyl]-2-phenylthiazole
CID 1476736
5-[1-[(4-Methylphenyl)methyl]-3-pyrazolyl]-2-phenylthiazole
CID 1476741
5-[1-[(4-Fluorophenyl)methyl]-3-pyrazolyl]-2-phenylthiazole
CID 1476746
5-(1-benzyl-1H-pyrazol-3-yl)-2-phenyl-1,3-thiazole
CID 1476747
2-[2-(3,5-Dimethylpyrazol-1-yl)ethyl]-4-(4-fluorophenyl)-1,3-thiazole
CID 2327977
4-methyl-5-(1-methyl-1H-pyrazol-5-yl)-2-phenyl-1,3-thiazole
CID 2768051

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfanyl-1-phenylpyrazol-4-yl)-4-phenyl-1,3-thiazole?
The IUPAC name of 2-(3-methylsulfanyl-1-phenylpyrazol-4-yl)-4-phenyl-1,3-thiazole (CID 2822356) is 2-(3-methylsulfanyl-1-phenylpyrazol-4-yl)-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-(3-methylsulfanyl-1-phenylpyrazol-4-yl)-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-(3-methylsulfanyl-1-phenylpyrazol-4-yl)-4-phenyl-1,3-thiazole is CSc1nn(-c2ccccc2)cc1-c1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-(3-methylsulfanyl-1-phenylpyrazol-4-yl)-4-phenyl-1,3-thiazole?
The InChIKey is PPULGEZXKVDKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3S2/c1-23-19-16(12-22(21-19)15-10-6-3-7-11-15)18-20-17(13-24-18)14-8-4-2-5-9-14/h2-13H,1H3.
What are the key properties of 2-(3-methylsulfanyl-1-phenylpyrazol-4-yl)-4-phenyl-1,3-thiazole?
2-(3-methylsulfanyl-1-phenylpyrazol-4-yl)-4-phenyl-1,3-thiazole has a molecular weight of 349.48 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfanyl-1-phenylpyrazol-4-yl)-4-phenyl-1,3-thiazole is sourced from PubChem (CID 2822356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).