4-[2-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-1,3-thiazole

C13H16ClN5S — CID 79288117

IUPAC4-[2-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-1,3-thiazole
SMILESCc1nn(C)c2c1nc(C(C)Cl)n2CCc1cscn1
InChIInChI=1S/C13H16ClN5S/c1-8(14)12-16-11-9(2)17-18(3)13(11)19(12)5-4-10-6-20-7-15-10/h6-8H,4-5H2,1-3H3
InChIKeyQUSVYWYGYHCMAX-UHFFFAOYSA-N
MW309.83 g/mol
LogP3.08
Rot. Bonds4

About 4-[2-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-1,3-thiazole

4-[2-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-1,3-thiazole (PubChem CID 79288117) has the molecular formula C13H16ClN5S and a molecular weight of 309.83 g/mol. Its IUPAC name is 4-[2-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[2-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-1,3-thiazole
PubChem CID79288117
Molecular FormulaC13H16ClN5S
Molecular Weight309.83 g/mol
Exact Mass309.08
IUPAC Name4-[2-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-1,3-thiazole
SMILESCc1nn(C)c2c1nc(C(C)Cl)n2CCc1cscn1
InChIInChI=1S/C13H16ClN5S/c1-8(14)12-16-11-9(2)17-18(3)13(11)19(12)5-4-10-6-20-7-15-10/h6-8H,4-5H2,1-3H3
InChIKeyQUSVYWYGYHCMAX-UHFFFAOYSA-N
XLogP3.08
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.83
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-[2-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-1,3-thiazole 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-[2-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-1,3-thiazole?
The IUPAC name of 4-[2-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-1,3-thiazole (CID 79288117) is 4-[2-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-1,3-thiazole.
What is the SMILES notation for 4-[2-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-1,3-thiazole?
The canonical SMILES for 4-[2-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-1,3-thiazole is Cc1nn(C)c2c1nc(C(C)Cl)n2CCc1cscn1.
What is the InChIKey of 4-[2-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-1,3-thiazole?
The InChIKey is QUSVYWYGYHCMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5S/c1-8(14)12-16-11-9(2)17-18(3)13(11)19(12)5-4-10-6-20-7-15-10/h6-8H,4-5H2,1-3H3.
What are the key properties of 4-[2-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-1,3-thiazole?
4-[2-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-1,3-thiazole has a molecular weight of 309.83 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-1,3-thiazole is sourced from PubChem (CID 79288117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).