(3R)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide

C20H22FN5OS — CID 95786556

IUPAC(3R)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1c(-c2ccc(F)cc2)nc2sccn12)N1CC[C@@H](N2CCCC2)C1
InChIInChI=1S/C20H22FN5OS/c21-15-5-3-14(4-6-15)17-18(26-11-12-28-20(26)22-17)23-19(27)25-10-7-16(13-25)24-8-1-2-9-24/h3-6,11-12,16H,1-2,7-10,13H2,(H,23,27)/t16-/m1/s1
InChIKeyKVEKGTQZLKXUFR-MRXNPFEDSA-N
MW399.50 g/mol
LogP3.90
Rot. Bonds3

About (3R)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide

(3R)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide (PubChem CID 95786556) has the molecular formula C20H22FN5OS and a molecular weight of 399.50 g/mol. Its IUPAC name is (3R)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
PubChem CID95786556
Molecular FormulaC20H22FN5OS
Molecular Weight399.50 g/mol
Exact Mass399.15
IUPAC Name(3R)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1c(-c2ccc(F)cc2)nc2sccn12)N1CC[C@@H](N2CCCC2)C1
InChIInChI=1S/C20H22FN5OS/c21-15-5-3-14(4-6-15)17-18(26-11-12-28-20(26)22-17)23-19(27)25-10-7-16(13-25)24-8-1-2-9-24/h3-6,11-12,16H,1-2,7-10,13H2,(H,23,27)/t16-/m1/s1
InChIKeyKVEKGTQZLKXUFR-MRXNPFEDSA-N
XLogP3.90
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide (CID 95786556) is (3R)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide is O=C(Nc1c(-c2ccc(F)cc2)nc2sccn12)N1CC[C@@H](N2CCCC2)C1.
What is the InChIKey of (3R)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
The InChIKey is KVEKGTQZLKXUFR-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22FN5OS/c21-15-5-3-14(4-6-15)17-18(26-11-12-28-20(26)22-17)23-19(27)25-10-7-16(13-25)24-8-1-2-9-24/h3-6,11-12,16H,1-2,7-10,13H2,(H,23,27)/t16-/m1/s1.
What are the key properties of (3R)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
(3R)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 95786556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).