2-(1,3-diphenylpyrazol-4-yl)-4,5-dihydro-1,3-thiazole

C18H15N3S — CID 50907938

IUPAC2-(1,3-diphenylpyrazol-4-yl)-4,5-dihydro-1,3-thiazole
SMILESc1ccc(-c2nn(-c3ccccc3)cc2C2=NCCS2)cc1
InChIInChI=1S/C18H15N3S/c1-3-7-14(8-4-1)17-16(18-19-11-12-22-18)13-21(20-17)15-9-5-2-6-10-15/h1-10,13H,11-12H2
InChIKeyAFXXCPQTMPJAJW-UHFFFAOYSA-N
MW305.41 g/mol
LogP4.03
Rot. Bonds3

About 2-(1,3-diphenylpyrazol-4-yl)-4,5-dihydro-1,3-thiazole

2-(1,3-diphenylpyrazol-4-yl)-4,5-dihydro-1,3-thiazole (PubChem CID 50907938) has the molecular formula C18H15N3S and a molecular weight of 305.41 g/mol. Its IUPAC name is 2-(1,3-diphenylpyrazol-4-yl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-(1,3-diphenylpyrazol-4-yl)-4,5-dihydro-1,3-thiazole
PubChem CID50907938
Molecular FormulaC18H15N3S
Molecular Weight305.41 g/mol
Exact Mass305.10
IUPAC Name2-(1,3-diphenylpyrazol-4-yl)-4,5-dihydro-1,3-thiazole
SMILESc1ccc(-c2nn(-c3ccccc3)cc2C2=NCCS2)cc1
InChIInChI=1S/C18H15N3S/c1-3-7-14(8-4-1)17-16(18-19-11-12-22-18)13-21(20-17)15-9-5-2-6-10-15/h1-10,13H,11-12H2
InChIKeyAFXXCPQTMPJAJW-UHFFFAOYSA-N
XLogP4.03
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diphenylpyrazol-4-yl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-(1,3-diphenylpyrazol-4-yl)-4,5-dihydro-1,3-thiazole (CID 50907938) is 2-(1,3-diphenylpyrazol-4-yl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-(1,3-diphenylpyrazol-4-yl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-(1,3-diphenylpyrazol-4-yl)-4,5-dihydro-1,3-thiazole is c1ccc(-c2nn(-c3ccccc3)cc2C2=NCCS2)cc1.
What is the InChIKey of 2-(1,3-diphenylpyrazol-4-yl)-4,5-dihydro-1,3-thiazole?
The InChIKey is AFXXCPQTMPJAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3S/c1-3-7-14(8-4-1)17-16(18-19-11-12-22-18)13-21(20-17)15-9-5-2-6-10-15/h1-10,13H,11-12H2.
What are the key properties of 2-(1,3-diphenylpyrazol-4-yl)-4,5-dihydro-1,3-thiazole?
2-(1,3-diphenylpyrazol-4-yl)-4,5-dihydro-1,3-thiazole has a molecular weight of 305.41 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diphenylpyrazol-4-yl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 50907938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).