2-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]-1,3-thiazole

C18H20N4S — CID 28850143

IUPAC2-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]-1,3-thiazole
SMILESc1cc(-c2ccn(CCN3CCCC3)n2)cc(-c2nccs2)c1
InChIInChI=1S/C18H20N4S/c1-2-9-21(8-1)11-12-22-10-6-17(20-22)15-4-3-5-16(14-15)18-19-7-13-23-18/h3-7,10,13-14H,1-2,8-9,11-12H2
InChIKeyYNHOPGWQFRBSEX-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.77
Rot. Bonds5

About 2-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]-1,3-thiazole

2-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]-1,3-thiazole (PubChem CID 28850143) has the molecular formula C18H20N4S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]-1,3-thiazole
PubChem CID28850143
Molecular FormulaC18H20N4S
Molecular Weight324.45 g/mol
Exact Mass324.14
IUPAC Name2-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]-1,3-thiazole
SMILESc1cc(-c2ccn(CCN3CCCC3)n2)cc(-c2nccs2)c1
InChIInChI=1S/C18H20N4S/c1-2-9-21(8-1)11-12-22-10-6-17(20-22)15-4-3-5-16(14-15)18-19-7-13-23-18/h3-7,10,13-14H,1-2,8-9,11-12H2
InChIKeyYNHOPGWQFRBSEX-UHFFFAOYSA-N
XLogP3.77
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]-1,3-thiazole?
The IUPAC name of 2-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]-1,3-thiazole (CID 28850143) is 2-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]-1,3-thiazole.
What is the SMILES notation for 2-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]-1,3-thiazole?
The canonical SMILES for 2-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]-1,3-thiazole is c1cc(-c2ccn(CCN3CCCC3)n2)cc(-c2nccs2)c1.
What is the InChIKey of 2-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]-1,3-thiazole?
The InChIKey is YNHOPGWQFRBSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4S/c1-2-9-21(8-1)11-12-22-10-6-17(20-22)15-4-3-5-16(14-15)18-19-7-13-23-18/h3-7,10,13-14H,1-2,8-9,11-12H2.
What are the key properties of 2-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]-1,3-thiazole?
2-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]-1,3-thiazole has a molecular weight of 324.45 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]-1,3-thiazole is sourced from PubChem (CID 28850143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).