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

C12H16ClN3S — CID 43138459

IUPAC4-(chloromethyl)-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,3-thiazole
SMILESCc1cc(C)n(CCCc2nc(CCl)cs2)n1
InChIInChI=1S/C12H16ClN3S/c1-9-6-10(2)16(15-9)5-3-4-12-14-11(7-13)8-17-12/h6,8H,3-5,7H2,1-2H3
InChIKeyILCBTNTUWDFCDX-UHFFFAOYSA-N
MW269.80 g/mol
LogP3.33
Rot. Bonds5

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

4-(chloromethyl)-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,3-thiazole (PubChem CID 43138459) has the molecular formula C12H16ClN3S and a molecular weight of 269.80 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,3-thiazole
PubChem CID43138459
Molecular FormulaC12H16ClN3S
Molecular Weight269.80 g/mol
Exact Mass269.08
IUPAC Name4-(chloromethyl)-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,3-thiazole
SMILESCc1cc(C)n(CCCc2nc(CCl)cs2)n1
InChIInChI=1S/C12H16ClN3S/c1-9-6-10(2)16(15-9)5-3-4-12-14-11(7-13)8-17-12/h6,8H,3-5,7H2,1-2H3
InChIKeyILCBTNTUWDFCDX-UHFFFAOYSA-N
XLogP3.33
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.80
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-2-[3-(3,5-dimethylpyrazol-1-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

1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111278042
4-(chloromethyl)-2-[3-(4-propylpiperazin-1-yl)propyl]-1,3-thiazole
CID 43320470
3-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]butyl]-2,6-dimethylpyrimidin-4-one
CID 63769730
4-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]thiomorpholine
CID 43138391
3-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 63310390
1-(6-chlorohexyl)-3,5-dimethylpyrazole
CID 62227990
2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-(chloromethyl)-1,3-thiazole
CID 55038801
4-(chloromethyl)-2-[3-(4,4-diethylpiperidin-1-yl)propyl]-1,3-thiazole
CID 63159007
4-(chloromethyl)-2-[3-(3,4-dimethylphenoxy)propyl]-1,3-thiazole
CID 43320166
4-(chloromethyl)-2-[3-(2,3-dimethylpiperidin-1-yl)propyl]-1,3-thiazole
CID 62123594
2-[3-(4-bromo-3,5-dimethylphenoxy)propyl]-4-(chloromethyl)-1,3-thiazole
CID 107725433
4-(chloromethyl)-2-[3-(2,5-dimethylphenoxy)propyl]-1,3-thiazole
CID 43138105

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,3-thiazole (CID 43138459) is 4-(chloromethyl)-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,3-thiazole is Cc1cc(C)n(CCCc2nc(CCl)cs2)n1.
What is the InChIKey of 4-(chloromethyl)-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,3-thiazole?
The InChIKey is ILCBTNTUWDFCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3S/c1-9-6-10(2)16(15-9)5-3-4-12-14-11(7-13)8-17-12/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 4-(chloromethyl)-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,3-thiazole?
4-(chloromethyl)-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,3-thiazole has a molecular weight of 269.80 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,3-thiazole is sourced from PubChem (CID 43138459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).