2-[(2,4-dichlorophenoxy)methyl]-4-pyrazin-2-yl-1,3-thiazole

C14H9Cl2N3OS — CID 14068301

IUPAC2-[(2,4-dichlorophenoxy)methyl]-4-pyrazin-2-yl-1,3-thiazole
SMILESClc1ccc(OCc2nc(-c3cnccn3)cs2)c(Cl)c1
InChIInChI=1S/C14H9Cl2N3OS/c15-9-1-2-13(10(16)5-9)20-7-14-19-12(8-21-14)11-6-17-3-4-18-11/h1-6,8H,7H2
InChIKeyVMDUTNQJBDEBSD-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.49
Rot. Bonds4

About 2-[(2,4-dichlorophenoxy)methyl]-4-pyrazin-2-yl-1,3-thiazole

2-[(2,4-dichlorophenoxy)methyl]-4-pyrazin-2-yl-1,3-thiazole (PubChem CID 14068301) has the molecular formula C14H9Cl2N3OS and a molecular weight of 338.22 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenoxy)methyl]-4-pyrazin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[(2,4-dichlorophenoxy)methyl]-4-pyrazin-2-yl-1,3-thiazole
PubChem CID14068301
Molecular FormulaC14H9Cl2N3OS
Molecular Weight338.22 g/mol
Exact Mass336.98
IUPAC Name2-[(2,4-dichlorophenoxy)methyl]-4-pyrazin-2-yl-1,3-thiazole
SMILESClc1ccc(OCc2nc(-c3cnccn3)cs2)c(Cl)c1
InChIInChI=1S/C14H9Cl2N3OS/c15-9-1-2-13(10(16)5-9)20-7-14-19-12(8-21-14)11-6-17-3-4-18-11/h1-6,8H,7H2
InChIKeyVMDUTNQJBDEBSD-UHFFFAOYSA-N
XLogP4.49
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenoxy)methyl]-4-pyrazin-2-yl-1,3-thiazole?
The IUPAC name of 2-[(2,4-dichlorophenoxy)methyl]-4-pyrazin-2-yl-1,3-thiazole (CID 14068301) is 2-[(2,4-dichlorophenoxy)methyl]-4-pyrazin-2-yl-1,3-thiazole.
What is the SMILES notation for 2-[(2,4-dichlorophenoxy)methyl]-4-pyrazin-2-yl-1,3-thiazole?
The canonical SMILES for 2-[(2,4-dichlorophenoxy)methyl]-4-pyrazin-2-yl-1,3-thiazole is Clc1ccc(OCc2nc(-c3cnccn3)cs2)c(Cl)c1.
What is the InChIKey of 2-[(2,4-dichlorophenoxy)methyl]-4-pyrazin-2-yl-1,3-thiazole?
The InChIKey is VMDUTNQJBDEBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3OS/c15-9-1-2-13(10(16)5-9)20-7-14-19-12(8-21-14)11-6-17-3-4-18-11/h1-6,8H,7H2.
What are the key properties of 2-[(2,4-dichlorophenoxy)methyl]-4-pyrazin-2-yl-1,3-thiazole?
2-[(2,4-dichlorophenoxy)methyl]-4-pyrazin-2-yl-1,3-thiazole has a molecular weight of 338.22 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenoxy)methyl]-4-pyrazin-2-yl-1,3-thiazole is sourced from PubChem (CID 14068301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).