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

C24H24N4OS — CID 53495655

IUPAC3-amino-1-methyl-3-[4-[2-(2-methylpyrazol-3-yl)-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-ol
SMILESCn1nccc1-c1nc(-c2ccc(C3(N)CC(C)(O)C3)cc2)c(-c2ccccc2)s1
InChIInChI=1S/C24H24N4OS/c1-23(29)14-24(25,15-23)18-10-8-16(9-11-18)20-21(17-6-4-3-5-7-17)30-22(27-20)19-12-13-26-28(19)2/h3-13,29H,14-15,25H2,1-2H3
InChIKeyREQSJOFYMXLYLH-UHFFFAOYSA-N
MW416.55 g/mol
LogP4.58
Rot. Bonds4

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

3-amino-1-methyl-3-[4-[2-(2-methylpyrazol-3-yl)-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-ol (PubChem CID 53495655) has the molecular formula C24H24N4OS and a molecular weight of 416.55 g/mol. Its IUPAC name is 3-amino-1-methyl-3-[4-[2-(2-methylpyrazol-3-yl)-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-amino-1-methyl-3-[4-[2-(2-methylpyrazol-3-yl)-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-ol
PubChem CID53495655
Molecular FormulaC24H24N4OS
Molecular Weight416.55 g/mol
Exact Mass416.17
IUPAC Name3-amino-1-methyl-3-[4-[2-(2-methylpyrazol-3-yl)-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-ol
SMILESCn1nccc1-c1nc(-c2ccc(C3(N)CC(C)(O)C3)cc2)c(-c2ccccc2)s1
InChIInChI=1S/C24H24N4OS/c1-23(29)14-24(25,15-23)18-10-8-16(9-11-18)20-21(17-6-4-3-5-7-17)30-22(27-20)19-12-13-26-28(19)2/h3-13,29H,14-15,25H2,1-2H3
InChIKeyREQSJOFYMXLYLH-UHFFFAOYSA-N
XLogP4.58
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-3-[4-[2-(2-methylpyrazol-3-yl)-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-ol?
The IUPAC name of 3-amino-1-methyl-3-[4-[2-(2-methylpyrazol-3-yl)-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-ol (CID 53495655) is 3-amino-1-methyl-3-[4-[2-(2-methylpyrazol-3-yl)-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-ol.
What is the SMILES notation for 3-amino-1-methyl-3-[4-[2-(2-methylpyrazol-3-yl)-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-ol?
The canonical SMILES for 3-amino-1-methyl-3-[4-[2-(2-methylpyrazol-3-yl)-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-ol is Cn1nccc1-c1nc(-c2ccc(C3(N)CC(C)(O)C3)cc2)c(-c2ccccc2)s1.
What is the InChIKey of 3-amino-1-methyl-3-[4-[2-(2-methylpyrazol-3-yl)-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-ol?
The InChIKey is REQSJOFYMXLYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4OS/c1-23(29)14-24(25,15-23)18-10-8-16(9-11-18)20-21(17-6-4-3-5-7-17)30-22(27-20)19-12-13-26-28(19)2/h3-13,29H,14-15,25H2,1-2H3.
What are the key properties of 3-amino-1-methyl-3-[4-[2-(2-methylpyrazol-3-yl)-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-ol?
3-amino-1-methyl-3-[4-[2-(2-methylpyrazol-3-yl)-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-ol has a molecular weight of 416.55 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-3-[4-[2-(2-methylpyrazol-3-yl)-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-ol is sourced from PubChem (CID 53495655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).