(5-chlorofuran-2-yl)-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methanone

C13H16ClN3O2S — CID 95905591

IUPAC(5-chlorofuran-2-yl)-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methanone
SMILESC[C@H]1CN=C(N2CCN(C(=O)c3ccc(Cl)o3)CC2)S1
InChIInChI=1S/C13H16ClN3O2S/c1-9-8-15-13(20-9)17-6-4-16(5-7-17)12(18)10-2-3-11(14)19-10/h2-3,9H,4-8H2,1H3/t9-/m0/s1
InChIKeyGQTKAHBLQJRBKI-VIFPVBQESA-N
MW313.81 g/mol
LogP2.18
Rot. Bonds1

About (5-chlorofuran-2-yl)-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methanone

(5-chlorofuran-2-yl)-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methanone (PubChem CID 95905591) has the molecular formula C13H16ClN3O2S and a molecular weight of 313.81 g/mol. Its IUPAC name is (5-chlorofuran-2-yl)-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorofuran-2-yl)-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methanone
PubChem CID95905591
Molecular FormulaC13H16ClN3O2S
Molecular Weight313.81 g/mol
Exact Mass313.07
IUPAC Name(5-chlorofuran-2-yl)-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methanone
SMILESC[C@H]1CN=C(N2CCN(C(=O)c3ccc(Cl)o3)CC2)S1
InChIInChI=1S/C13H16ClN3O2S/c1-9-8-15-13(20-9)17-6-4-16(5-7-17)12(18)10-2-3-11(14)19-10/h2-3,9H,4-8H2,1H3/t9-/m0/s1
InChIKeyGQTKAHBLQJRBKI-VIFPVBQESA-N
XLogP2.18
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-chlorofuran-2-yl)-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methanone 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 (5-chlorofuran-2-yl)-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The IUPAC name of (5-chlorofuran-2-yl)-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methanone (CID 95905591) is (5-chlorofuran-2-yl)-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-chlorofuran-2-yl)-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for (5-chlorofuran-2-yl)-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methanone is C[C@H]1CN=C(N2CCN(C(=O)c3ccc(Cl)o3)CC2)S1.
What is the InChIKey of (5-chlorofuran-2-yl)-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The InChIKey is GQTKAHBLQJRBKI-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16ClN3O2S/c1-9-8-15-13(20-9)17-6-4-16(5-7-17)12(18)10-2-3-11(14)19-10/h2-3,9H,4-8H2,1H3/t9-/m0/s1.
What are the key properties of (5-chlorofuran-2-yl)-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
(5-chlorofuran-2-yl)-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methanone has a molecular weight of 313.81 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorofuran-2-yl)-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 95905591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).