2-chloro-5-[(4-chloropyrazol-1-yl)methyl]-1,3-thiazole

C7H5Cl2N3S — CID 79765764

IUPAC2-chloro-5-[(4-chloropyrazol-1-yl)methyl]-1,3-thiazole
SMILESClc1cnn(Cc2cnc(Cl)s2)c1
InChIInChI=1S/C7H5Cl2N3S/c8-5-1-11-12(3-5)4-6-2-10-7(9)13-6/h1-3H,4H2
InChIKeyFQHFWTZMLZPJDM-UHFFFAOYSA-N
MW234.11 g/mol
LogP2.69
Rot. Bonds2

About 2-chloro-5-[(4-chloropyrazol-1-yl)methyl]-1,3-thiazole

2-chloro-5-[(4-chloropyrazol-1-yl)methyl]-1,3-thiazole (PubChem CID 79765764) has the molecular formula C7H5Cl2N3S and a molecular weight of 234.11 g/mol. Its IUPAC name is 2-chloro-5-[(4-chloropyrazol-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[(4-chloropyrazol-1-yl)methyl]-1,3-thiazole
PubChem CID79765764
Molecular FormulaC7H5Cl2N3S
Molecular Weight234.11 g/mol
Exact Mass232.96
IUPAC Name2-chloro-5-[(4-chloropyrazol-1-yl)methyl]-1,3-thiazole
SMILESClc1cnn(Cc2cnc(Cl)s2)c1
InChIInChI=1S/C7H5Cl2N3S/c8-5-1-11-12(3-5)4-6-2-10-7(9)13-6/h1-3H,4H2
InChIKeyFQHFWTZMLZPJDM-UHFFFAOYSA-N
XLogP2.69
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.11
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-chloropyrazol-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-[(4-chloropyrazol-1-yl)methyl]-1,3-thiazole (CID 79765764) is 2-chloro-5-[(4-chloropyrazol-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[(4-chloropyrazol-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[(4-chloropyrazol-1-yl)methyl]-1,3-thiazole is Clc1cnn(Cc2cnc(Cl)s2)c1.
What is the InChIKey of 2-chloro-5-[(4-chloropyrazol-1-yl)methyl]-1,3-thiazole?
The InChIKey is FQHFWTZMLZPJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2N3S/c8-5-1-11-12(3-5)4-6-2-10-7(9)13-6/h1-3H,4H2.
What are the key properties of 2-chloro-5-[(4-chloropyrazol-1-yl)methyl]-1,3-thiazole?
2-chloro-5-[(4-chloropyrazol-1-yl)methyl]-1,3-thiazole has a molecular weight of 234.11 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4-chloropyrazol-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 79765764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).