4-(chloromethyl)-2-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole

C14H12ClN3S — CID 43138436

IUPAC4-(chloromethyl)-2-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole
SMILESClCc1csc(-c2ccccc2Cn2cccn2)n1
InChIInChI=1S/C14H12ClN3S/c15-8-12-10-19-14(17-12)13-5-2-1-4-11(13)9-18-7-3-6-16-18/h1-7,10H,8-9H2
InChIKeyVODURSACAASOBZ-UHFFFAOYSA-N
MW289.79 g/mol
LogP3.79
Rot. Bonds4

About 4-(chloromethyl)-2-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole

4-(chloromethyl)-2-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole (PubChem CID 43138436) has the molecular formula C14H12ClN3S and a molecular weight of 289.79 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole
PubChem CID43138436
Molecular FormulaC14H12ClN3S
Molecular Weight289.79 g/mol
Exact Mass289.04
IUPAC Name4-(chloromethyl)-2-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole
SMILESClCc1csc(-c2ccccc2Cn2cccn2)n1
InChIInChI=1S/C14H12ClN3S/c15-8-12-10-19-14(17-12)13-5-2-1-4-11(13)9-18-7-3-6-16-18/h1-7,10H,8-9H2
InChIKeyVODURSACAASOBZ-UHFFFAOYSA-N
XLogP3.79
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-(chloromethyl)-1,3-thiazole
CID 61034902
2-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]-1,2-thiazolidine 1,1-dioxide
CID 43620082
4-(chloromethyl)-2-[2-[(2-methylpiperidin-1-yl)methyl]phenyl]-1,3-thiazole
CID 43138294
4-(chloromethyl)-2-[2-(pentoxymethyl)phenyl]-1,3-thiazole
CID 43275214
N-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 43273971
4-[[4-(chloromethyl)triazol-1-yl]methyl]-2-(2-chlorophenyl)-1,3-thiazole
CID 62400080
4-(chloromethyl)-2-[2-(furan-2-ylmethoxymethyl)phenyl]-1,3-thiazole
CID 43320209
4-(chloromethyl)-2-pyrimidin-2-yl-1,3-thiazole
CID 43622191
4-ethyl-2-(pyrazol-1-ylmethyl)-1,3-thiazole
CID 130619188
4-(chloromethyl)-2-pyrazol-1-yl-1,3-thiazole
CID 71668962
2-[4-(chloromethyl)-1,3-thiazol-2-yl]benzoyl chloride
CID 154260992
1-[[3-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]pyrimidin-2-one
CID 43320542

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole (CID 43138436) is 4-(chloromethyl)-2-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole is ClCc1csc(-c2ccccc2Cn2cccn2)n1.
What is the InChIKey of 4-(chloromethyl)-2-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole?
The InChIKey is VODURSACAASOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3S/c15-8-12-10-19-14(17-12)13-5-2-1-4-11(13)9-18-7-3-6-16-18/h1-7,10H,8-9H2.
What are the key properties of 4-(chloromethyl)-2-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole?
4-(chloromethyl)-2-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole has a molecular weight of 289.79 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 43138436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).