2-[1-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]propyl]-1,3-thiazole

C14H18ClN5S — CID 79281214

IUPAC2-[1-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]propyl]-1,3-thiazole
SMILESCCc1nn(C)c2c1nc(CCl)n2C(CC)c1nccs1
InChIInChI=1S/C14H18ClN5S/c1-4-9-12-14(19(3)18-9)20(11(8-15)17-12)10(5-2)13-16-6-7-21-13/h6-7,10H,4-5,8H2,1-3H3
InChIKeyVFSZBZNWMMHEMN-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.53
Rot. Bonds5

About 2-[1-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]propyl]-1,3-thiazole

2-[1-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]propyl]-1,3-thiazole (PubChem CID 79281214) has the molecular formula C14H18ClN5S and a molecular weight of 323.85 g/mol. Its IUPAC name is 2-[1-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]propyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]propyl]-1,3-thiazole
PubChem CID79281214
Molecular FormulaC14H18ClN5S
Molecular Weight323.85 g/mol
Exact Mass323.10
IUPAC Name2-[1-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]propyl]-1,3-thiazole
SMILESCCc1nn(C)c2c1nc(CCl)n2C(CC)c1nccs1
InChIInChI=1S/C14H18ClN5S/c1-4-9-12-14(19(3)18-9)20(11(8-15)17-12)10(5-2)13-16-6-7-21-13/h6-7,10H,4-5,8H2,1-3H3
InChIKeyVFSZBZNWMMHEMN-UHFFFAOYSA-N
XLogP3.53
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[1-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]propyl]-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

Related Compounds

3-ethyl-1-methyl-6-[1-(1,3-thiazol-2-yl)propyl]imidazo[4,5-d]pyrazol-5-amine
CID 79299995
2-[1-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-1,3-thiazole
CID 79288334
2-[[5-(2-chloroethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]methyl]-1,3-thiazole
CID 79300011
1-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylpropan-2-amine
CID 79300638
5-(chloromethyl)-1-methyl-6-(4-methylpentan-2-yl)-3-propylimidazo[4,5-d]pyrazole
CID 79305233
5-(2-chloroethyl)-3-ethyl-1-methyl-6-(3-methylbutan-2-yl)imidazo[4,5-d]pyrazole
CID 79300142
5-(chloromethyl)-3-ethyl-1-methyl-6-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-d]pyrazole
CID 79281035
5-(chloromethyl)-6-(dicyclopropylmethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazole
CID 79282856
1,3-dimethyl-6-[1-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine
CID 79296870
6-chloro-5-ethyl-3-[1-(1,3-thiazol-2-yl)propyl]-1H-pyrimidine-2,4-dione
CID 113404202
5-(chloromethyl)-6-(2,4-dichlorophenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazole
CID 79281894
5-(chloromethyl)-3-ethyl-6-(3-methoxy-2-methylpropyl)-1-methylimidazo[4,5-d]pyrazole
CID 79300218

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]propyl]-1,3-thiazole?
The IUPAC name of 2-[1-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]propyl]-1,3-thiazole (CID 79281214) is 2-[1-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]propyl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]propyl]-1,3-thiazole?
The canonical SMILES for 2-[1-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]propyl]-1,3-thiazole is CCc1nn(C)c2c1nc(CCl)n2C(CC)c1nccs1.
What is the InChIKey of 2-[1-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]propyl]-1,3-thiazole?
The InChIKey is VFSZBZNWMMHEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5S/c1-4-9-12-14(19(3)18-9)20(11(8-15)17-12)10(5-2)13-16-6-7-21-13/h6-7,10H,4-5,8H2,1-3H3.
What are the key properties of 2-[1-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]propyl]-1,3-thiazole?
2-[1-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]propyl]-1,3-thiazole has a molecular weight of 323.85 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]propyl]-1,3-thiazole is sourced from PubChem (CID 79281214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).