4-[(2,6-dichlorophenoxy)methyl]-2-pyrimidin-2-yl-1,3-thiazole

C14H9Cl2N3OS — CID 47057574

IUPAC4-[(2,6-dichlorophenoxy)methyl]-2-pyrimidin-2-yl-1,3-thiazole
SMILESClc1cccc(Cl)c1OCc1csc(-c2ncccn2)n1
InChIInChI=1S/C14H9Cl2N3OS/c15-10-3-1-4-11(16)12(10)20-7-9-8-21-14(19-9)13-17-5-2-6-18-13/h1-6,8H,7H2
InChIKeyCKPRDDPMZKYXPC-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.49
Rot. Bonds4

About 4-[(2,6-dichlorophenoxy)methyl]-2-pyrimidin-2-yl-1,3-thiazole

4-[(2,6-dichlorophenoxy)methyl]-2-pyrimidin-2-yl-1,3-thiazole (PubChem CID 47057574) has the molecular formula C14H9Cl2N3OS and a molecular weight of 338.22 g/mol. Its IUPAC name is 4-[(2,6-dichlorophenoxy)methyl]-2-pyrimidin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[(2,6-dichlorophenoxy)methyl]-2-pyrimidin-2-yl-1,3-thiazole
PubChem CID47057574
Molecular FormulaC14H9Cl2N3OS
Molecular Weight338.22 g/mol
Exact Mass336.98
IUPAC Name4-[(2,6-dichlorophenoxy)methyl]-2-pyrimidin-2-yl-1,3-thiazole
SMILESClc1cccc(Cl)c1OCc1csc(-c2ncccn2)n1
InChIInChI=1S/C14H9Cl2N3OS/c15-10-3-1-4-11(16)12(10)20-7-9-8-21-14(19-9)13-17-5-2-6-18-13/h1-6,8H,7H2
InChIKeyCKPRDDPMZKYXPC-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 4-[(2,6-dichlorophenoxy)methyl]-2-pyrimidin-2-yl-1,3-thiazole?
The IUPAC name of 4-[(2,6-dichlorophenoxy)methyl]-2-pyrimidin-2-yl-1,3-thiazole (CID 47057574) is 4-[(2,6-dichlorophenoxy)methyl]-2-pyrimidin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-[(2,6-dichlorophenoxy)methyl]-2-pyrimidin-2-yl-1,3-thiazole?
The canonical SMILES for 4-[(2,6-dichlorophenoxy)methyl]-2-pyrimidin-2-yl-1,3-thiazole is Clc1cccc(Cl)c1OCc1csc(-c2ncccn2)n1.
What is the InChIKey of 4-[(2,6-dichlorophenoxy)methyl]-2-pyrimidin-2-yl-1,3-thiazole?
The InChIKey is CKPRDDPMZKYXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3OS/c15-10-3-1-4-11(16)12(10)20-7-9-8-21-14(19-9)13-17-5-2-6-18-13/h1-6,8H,7H2.
What are the key properties of 4-[(2,6-dichlorophenoxy)methyl]-2-pyrimidin-2-yl-1,3-thiazole?
4-[(2,6-dichlorophenoxy)methyl]-2-pyrimidin-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 4-[(2,6-dichlorophenoxy)methyl]-2-pyrimidin-2-yl-1,3-thiazole is sourced from PubChem (CID 47057574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).