4-(chloromethyl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazole

C10H12ClN3S — CID 43138456

IUPAC4-(chloromethyl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazole
SMILESCc1cc(C)n(Cc2nc(CCl)cs2)n1
InChIInChI=1S/C10H12ClN3S/c1-7-3-8(2)14(13-7)5-10-12-9(4-11)6-15-10/h3,6H,4-5H2,1-2H3
InChIKeyVHFQXDFALCGLIM-UHFFFAOYSA-N
MW241.75 g/mol
LogP2.74
Rot. Bonds3

About 4-(chloromethyl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazole

4-(chloromethyl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazole (PubChem CID 43138456) has the molecular formula C10H12ClN3S and a molecular weight of 241.75 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazole
PubChem CID43138456
Molecular FormulaC10H12ClN3S
Molecular Weight241.75 g/mol
Exact Mass241.04
IUPAC Name4-(chloromethyl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazole
SMILESCc1cc(C)n(Cc2nc(CCl)cs2)n1
InChIInChI=1S/C10H12ClN3S/c1-7-3-8(2)14(13-7)5-10-12-9(4-11)6-15-10/h3,6H,4-5H2,1-2H3
InChIKeyVHFQXDFALCGLIM-UHFFFAOYSA-N
XLogP2.74
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.75
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazole (CID 43138456) is 4-(chloromethyl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazole is Cc1cc(C)n(Cc2nc(CCl)cs2)n1.
What is the InChIKey of 4-(chloromethyl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazole?
The InChIKey is VHFQXDFALCGLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3S/c1-7-3-8(2)14(13-7)5-10-12-9(4-11)6-15-10/h3,6H,4-5H2,1-2H3.
What are the key properties of 4-(chloromethyl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazole?
4-(chloromethyl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazole has a molecular weight of 241.75 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 43138456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).