2-chloro-5-[(5-chloro-3-pyridinyl)methyl]-1,3-thiazole

C9H6Cl2N2S — CID 70242360

IUPAC2-chloro-5-[(5-chloro-3-pyridinyl)methyl]-1,3-thiazole
SMILESClc1cncc(Cc2cnc(Cl)s2)c1
InChIInChI=1S/C9H6Cl2N2S/c10-7-1-6(3-12-4-7)2-8-5-13-9(11)14-8/h1,3-5H,2H2
InChIKeyZLWYQUFSPZMSPC-UHFFFAOYSA-N
MW245.13 g/mol
LogP3.44
Rot. Bonds2

About 2-chloro-5-[(5-chloro-3-pyridinyl)methyl]-1,3-thiazole

2-chloro-5-[(5-chloro-3-pyridinyl)methyl]-1,3-thiazole (PubChem CID 70242360) has the molecular formula C9H6Cl2N2S and a molecular weight of 245.13 g/mol. Its IUPAC name is 2-chloro-5-[(5-chloro-3-pyridinyl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[(5-chloro-3-pyridinyl)methyl]-1,3-thiazole
PubChem CID70242360
Molecular FormulaC9H6Cl2N2S
Molecular Weight245.13 g/mol
Exact Mass243.96
IUPAC Name2-chloro-5-[(5-chloro-3-pyridinyl)methyl]-1,3-thiazole
SMILESClc1cncc(Cc2cnc(Cl)s2)c1
InChIInChI=1S/C9H6Cl2N2S/c10-7-1-6(3-12-4-7)2-8-5-13-9(11)14-8/h1,3-5H,2H2
InChIKeyZLWYQUFSPZMSPC-UHFFFAOYSA-N
XLogP3.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.13
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(5-chloro-3-pyridinyl)methyl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-[(5-chloro-3-pyridinyl)methyl]-1,3-thiazole (CID 70242360) is 2-chloro-5-[(5-chloro-3-pyridinyl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[(5-chloro-3-pyridinyl)methyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[(5-chloro-3-pyridinyl)methyl]-1,3-thiazole is Clc1cncc(Cc2cnc(Cl)s2)c1.
What is the InChIKey of 2-chloro-5-[(5-chloro-3-pyridinyl)methyl]-1,3-thiazole?
The InChIKey is ZLWYQUFSPZMSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2S/c10-7-1-6(3-12-4-7)2-8-5-13-9(11)14-8/h1,3-5H,2H2.
What are the key properties of 2-chloro-5-[(5-chloro-3-pyridinyl)methyl]-1,3-thiazole?
2-chloro-5-[(5-chloro-3-pyridinyl)methyl]-1,3-thiazole has a molecular weight of 245.13 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(5-chloro-3-pyridinyl)methyl]-1,3-thiazole is sourced from PubChem (CID 70242360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).