4-(chloromethyl)-2-pyrazol-1-yl-1,3-thiazole

C7H6ClN3S — CID 71668962

IUPAC4-(chloromethyl)-2-pyrazol-1-yl-1,3-thiazole
SMILESClCc1csc(-n2cccn2)n1
InChIInChI=1S/C7H6ClN3S/c8-4-6-5-12-7(10-6)11-3-1-2-9-11/h1-3,5H,4H2
InChIKeyUHDYWNGVIVNMFB-UHFFFAOYSA-N
MW199.67 g/mol
LogP2.07
Rot. Bonds2

About 4-(chloromethyl)-2-pyrazol-1-yl-1,3-thiazole

4-(chloromethyl)-2-pyrazol-1-yl-1,3-thiazole (PubChem CID 71668962) has the molecular formula C7H6ClN3S and a molecular weight of 199.67 g/mol. Its IUPAC name is 4-(chloromethyl)-2-pyrazol-1-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-pyrazol-1-yl-1,3-thiazole
PubChem CID71668962
Molecular FormulaC7H6ClN3S
Molecular Weight199.67 g/mol
Exact Mass199.00
IUPAC Name4-(chloromethyl)-2-pyrazol-1-yl-1,3-thiazole
SMILESClCc1csc(-n2cccn2)n1
InChIInChI=1S/C7H6ClN3S/c8-4-6-5-12-7(10-6)11-3-1-2-9-11/h1-3,5H,4H2
InChIKeyUHDYWNGVIVNMFB-UHFFFAOYSA-N
XLogP2.07
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.67
LogP ≤ 52.07
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-pyrazol-1-yl-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-pyrazol-1-yl-1,3-thiazole (CID 71668962) is 4-(chloromethyl)-2-pyrazol-1-yl-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-pyrazol-1-yl-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-pyrazol-1-yl-1,3-thiazole is ClCc1csc(-n2cccn2)n1.
What is the InChIKey of 4-(chloromethyl)-2-pyrazol-1-yl-1,3-thiazole?
The InChIKey is UHDYWNGVIVNMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3S/c8-4-6-5-12-7(10-6)11-3-1-2-9-11/h1-3,5H,4H2.
What are the key properties of 4-(chloromethyl)-2-pyrazol-1-yl-1,3-thiazole?
4-(chloromethyl)-2-pyrazol-1-yl-1,3-thiazole has a molecular weight of 199.67 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-pyrazol-1-yl-1,3-thiazole is sourced from PubChem (CID 71668962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).