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

C12H14ClN5S — CID 79288334

IUPAC2-[1-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-1,3-thiazole
SMILESCc1nn(C)c2c1nc(CCl)n2C(C)c1nccs1
InChIInChI=1S/C12H14ClN5S/c1-7-10-12(17(3)16-7)18(9(6-13)15-10)8(2)11-14-4-5-19-11/h4-5,8H,6H2,1-3H3
InChIKeyBQSZMVPAEDTSAC-UHFFFAOYSA-N
MW295.80 g/mol
LogP2.88
Rot. Bonds3

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

2-[1-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-1,3-thiazole (PubChem CID 79288334) has the molecular formula C12H14ClN5S and a molecular weight of 295.80 g/mol. Its IUPAC name is 2-[1-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-1,3-thiazole
PubChem CID79288334
Molecular FormulaC12H14ClN5S
Molecular Weight295.80 g/mol
Exact Mass295.07
IUPAC Name2-[1-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-1,3-thiazole
SMILESCc1nn(C)c2c1nc(CCl)n2C(C)c1nccs1
InChIInChI=1S/C12H14ClN5S/c1-7-10-12(17(3)16-7)18(9(6-13)15-10)8(2)11-14-4-5-19-11/h4-5,8H,6H2,1-3H3
InChIKeyBQSZMVPAEDTSAC-UHFFFAOYSA-N
XLogP2.88
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-6-[1-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine
CID 79296870
2-[1-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]propyl]-1,3-thiazole
CID 79281214
2-[1-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-5-methyl-1,3-oxazole
CID 106389161
5-(chloromethyl)-1,3-dimethyl-6-(3-methylpentan-2-yl)imidazo[4,5-d]pyrazole
CID 79297674
5-(chloromethyl)-6-(4-methoxybutan-2-yl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79288912
2-[2-[5-(chloromethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]ethyl]-1,3-thiazole
CID 79308237
5-(chloromethyl)-1-ethyl-3-methyl-6-(1-thiophen-3-ylethyl)imidazo[4,5-d]pyrazole
CID 79307430
5-(2-chloroethyl)-1,3-dimethyl-6-(1-thiophen-3-ylpropan-2-yl)imidazo[4,5-d]pyrazole
CID 79276832
2-[2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-4-methyl-1,3-thiazole
CID 79288614
5-(chloromethyl)-1,3-dimethyl-6-(thiophen-2-ylmethyl)imidazo[4,5-d]pyrazole
CID 79297314
5-(chloromethyl)-1,3-dimethyl-6-(2-methylbutyl)imidazo[4,5-d]pyrazole
CID 79288113
5-(chloromethyl)-1,3-dimethyl-6-(4-propan-2-ylphenyl)imidazo[4,5-d]pyrazole
CID 79276393

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-1,3-thiazole?
The IUPAC name of 2-[1-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-1,3-thiazole (CID 79288334) is 2-[1-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-1,3-thiazole?
The canonical SMILES for 2-[1-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-1,3-thiazole is Cc1nn(C)c2c1nc(CCl)n2C(C)c1nccs1.
What is the InChIKey of 2-[1-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-1,3-thiazole?
The InChIKey is BQSZMVPAEDTSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5S/c1-7-10-12(17(3)16-7)18(9(6-13)15-10)8(2)11-14-4-5-19-11/h4-5,8H,6H2,1-3H3.
What are the key properties of 2-[1-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-1,3-thiazole?
2-[1-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-1,3-thiazole has a molecular weight of 295.80 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-1,3-thiazole is sourced from PubChem (CID 79288334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).