2-[4-[2-(2-methylpyrazol-3-yl)-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-ol

C23H21N3OS — CID 123151009

IUPAC2-[4-[2-(2-methylpyrazol-3-yl)-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-ol
SMILESCn1nccc1-c1nc(-c2ccc(C3CCC3O)cc2)c(-c2ccccc2)s1
InChIInChI=1S/C23H21N3OS/c1-26-19(13-14-24-26)23-25-21(22(28-23)17-5-3-2-4-6-17)16-9-7-15(8-10-16)18-11-12-20(18)27/h2-10,13-14,18,20,27H,11-12H2,1H3
InChIKeyFAIRHIIHKXWHNB-UHFFFAOYSA-N
MW387.51 g/mol
LogP5.12
Rot. Bonds4

About 2-[4-[2-(2-methylpyrazol-3-yl)-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-ol

2-[4-[2-(2-methylpyrazol-3-yl)-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-ol (PubChem CID 123151009) has the molecular formula C23H21N3OS and a molecular weight of 387.51 g/mol. Its IUPAC name is 2-[4-[2-(2-methylpyrazol-3-yl)-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-ol.

Molecular Properties

Compound Name2-[4-[2-(2-methylpyrazol-3-yl)-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-ol
PubChem CID123151009
Molecular FormulaC23H21N3OS
Molecular Weight387.51 g/mol
Exact Mass387.14
IUPAC Name2-[4-[2-(2-methylpyrazol-3-yl)-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-ol
SMILESCn1nccc1-c1nc(-c2ccc(C3CCC3O)cc2)c(-c2ccccc2)s1
InChIInChI=1S/C23H21N3OS/c1-26-19(13-14-24-26)23-25-21(22(28-23)17-5-3-2-4-6-17)16-9-7-15(8-10-16)18-11-12-20(18)27/h2-10,13-14,18,20,27H,11-12H2,1H3
InChIKeyFAIRHIIHKXWHNB-UHFFFAOYSA-N
XLogP5.12
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.51
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-methylpyrazol-3-yl)-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-ol?
The IUPAC name of 2-[4-[2-(2-methylpyrazol-3-yl)-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-ol (CID 123151009) is 2-[4-[2-(2-methylpyrazol-3-yl)-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-ol.
What is the SMILES notation for 2-[4-[2-(2-methylpyrazol-3-yl)-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-ol?
The canonical SMILES for 2-[4-[2-(2-methylpyrazol-3-yl)-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-ol is Cn1nccc1-c1nc(-c2ccc(C3CCC3O)cc2)c(-c2ccccc2)s1.
What is the InChIKey of 2-[4-[2-(2-methylpyrazol-3-yl)-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-ol?
The InChIKey is FAIRHIIHKXWHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3OS/c1-26-19(13-14-24-26)23-25-21(22(28-23)17-5-3-2-4-6-17)16-9-7-15(8-10-16)18-11-12-20(18)27/h2-10,13-14,18,20,27H,11-12H2,1H3.
What are the key properties of 2-[4-[2-(2-methylpyrazol-3-yl)-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-ol?
2-[4-[2-(2-methylpyrazol-3-yl)-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-ol has a molecular weight of 387.51 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-methylpyrazol-3-yl)-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-ol is sourced from PubChem (CID 123151009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).