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

C13H16ClN5S — CID 79300011

IUPAC2-[[5-(2-chloroethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]methyl]-1,3-thiazole
SMILESCCc1nn(C)c2c1nc(CCCl)n2Cc1nccs1
InChIInChI=1S/C13H16ClN5S/c1-3-9-12-13(18(2)17-9)19(10(16-12)4-5-14)8-11-15-6-7-20-11/h6-7H,3-5,8H2,1-2H3
InChIKeyBPAJPSUKPJVOLB-UHFFFAOYSA-N
MW309.83 g/mol
LogP2.62
Rot. Bonds5

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

2-[[5-(2-chloroethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]methyl]-1,3-thiazole (PubChem CID 79300011) has the molecular formula C13H16ClN5S and a molecular weight of 309.83 g/mol. Its IUPAC name is 2-[[5-(2-chloroethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[5-(2-chloroethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]methyl]-1,3-thiazole
PubChem CID79300011
Molecular FormulaC13H16ClN5S
Molecular Weight309.83 g/mol
Exact Mass309.08
IUPAC Name2-[[5-(2-chloroethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]methyl]-1,3-thiazole
SMILESCCc1nn(C)c2c1nc(CCCl)n2Cc1nccs1
InChIInChI=1S/C13H16ClN5S/c1-3-9-12-13(18(2)17-9)19(10(16-12)4-5-14)8-11-15-6-7-20-11/h6-7H,3-5,8H2,1-2H3
InChIKeyBPAJPSUKPJVOLB-UHFFFAOYSA-N
XLogP2.62
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.83
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[5-(2-chloroethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

5-(2-chloroethyl)-3-ethyl-1-methyl-6-(pyridazin-3-ylmethyl)imidazo[4,5-d]pyrazole
CID 106896974
3-[[5-(2-chloroethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]methyl]-1,2,4-oxadiazole
CID 106407034
2-[[5-(2-chloroethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]methyl]-5-methyl-1,3-oxazole
CID 106375765
5-(2-chloroethyl)-3-ethyl-1-methyl-6-[(1-methylpyrazol-4-yl)methyl]imidazo[4,5-d]pyrazole
CID 79282236
methyl 3-[5-(2-chloroethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]propanoate
CID 79300353
2-[1-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]propyl]-1,3-thiazole
CID 79281214
3-ethyl-1-methyl-6-(1,3-thiazol-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79302647
5-(2-chloroethyl)-3-ethyl-1-methyl-6-(3-methylbutan-2-yl)imidazo[4,5-d]pyrazole
CID 79300142
2-[5-(2-chloroethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylacetamide
CID 79282579
5-(2-chloroethyl)-6-(2,2-dimethylcyclopropyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazole
CID 79300013
5-(chloromethyl)-3-ethyl-1-methyl-6-[(3-methylphenyl)methyl]imidazo[4,5-d]pyrazole
CID 79282481
5-(2-chloroethyl)-6-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-dimethylimidazo[4,5-d]pyrazole
CID 106303027

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-chloroethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[5-(2-chloroethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]methyl]-1,3-thiazole (CID 79300011) is 2-[[5-(2-chloroethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[5-(2-chloroethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[5-(2-chloroethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]methyl]-1,3-thiazole is CCc1nn(C)c2c1nc(CCCl)n2Cc1nccs1.
What is the InChIKey of 2-[[5-(2-chloroethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]methyl]-1,3-thiazole?
The InChIKey is BPAJPSUKPJVOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5S/c1-3-9-12-13(18(2)17-9)19(10(16-12)4-5-14)8-11-15-6-7-20-11/h6-7H,3-5,8H2,1-2H3.
What are the key properties of 2-[[5-(2-chloroethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]methyl]-1,3-thiazole?
2-[[5-(2-chloroethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]methyl]-1,3-thiazole has a molecular weight of 309.83 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-chloroethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 79300011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).