[4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone

C20H21ClN6OS — CID 655974

IUPAC[4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCN(c2ncnc3c(-c4ccc(Cl)cc4)nsc23)CC1
InChIInChI=1S/C20H21ClN6OS/c21-15-5-3-14(4-6-15)16-17-18(29-24-16)19(23-13-22-17)25-9-11-27(12-10-25)20(28)26-7-1-2-8-26/h3-6,13H,1-2,7-12H2
InChIKeyXCMGVBQMYKSDJL-UHFFFAOYSA-N
MW428.95 g/mol
LogP3.74
Rot. Bonds2

About [4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone

[4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone (PubChem CID 655974) has the molecular formula C20H21ClN6OS and a molecular weight of 428.95 g/mol. Its IUPAC name is [4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone
PubChem CID655974
Molecular FormulaC20H21ClN6OS
Molecular Weight428.95 g/mol
Exact Mass428.12
IUPAC Name[4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCN(c2ncnc3c(-c4ccc(Cl)cc4)nsc23)CC1
InChIInChI=1S/C20H21ClN6OS/c21-15-5-3-14(4-6-15)16-17-18(29-24-16)19(23-13-22-17)25-9-11-27(12-10-25)20(28)26-7-1-2-8-26/h3-6,13H,1-2,7-12H2
InChIKeyXCMGVBQMYKSDJL-UHFFFAOYSA-N
XLogP3.74
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.95
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone 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 [4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone (CID 655974) is [4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone is O=C(N1CCCC1)N1CCN(c2ncnc3c(-c4ccc(Cl)cc4)nsc23)CC1.
What is the InChIKey of [4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is XCMGVBQMYKSDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6OS/c21-15-5-3-14(4-6-15)16-17-18(29-24-16)19(23-13-22-17)25-9-11-27(12-10-25)20(28)26-7-1-2-8-26/h3-6,13H,1-2,7-12H2.
What are the key properties of [4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone?
[4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 428.95 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 655974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).