chlorobenzene;5-(ethoxymethyl)-2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazole

C20H23ClN2OS — CID 174714717

IUPACchlorobenzene;5-(ethoxymethyl)-2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazole
SMILESCCOCc1sc(-c2ccnc(CC)c2)nc1C.Clc1ccccc1
InChIInChI=1S/C14H18N2OS.C6H5Cl/c1-4-12-8-11(6-7-15-12)14-16-10(3)13(18-14)9-17-5-2;7-6-4-2-1-3-5-6/h6-8H,4-5,9H2,1-3H3;1-5H
InChIKeyAHAXHFTVBMCSJK-UHFFFAOYSA-N
MW374.94 g/mol
LogP5.95
Rot. Bonds5

About chlorobenzene;5-(ethoxymethyl)-2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazole

chlorobenzene;5-(ethoxymethyl)-2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazole (PubChem CID 174714717) has the molecular formula C20H23ClN2OS and a molecular weight of 374.94 g/mol. Its IUPAC name is chlorobenzene;5-(ethoxymethyl)-2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Namechlorobenzene;5-(ethoxymethyl)-2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazole
PubChem CID174714717
Molecular FormulaC20H23ClN2OS
Molecular Weight374.94 g/mol
Exact Mass374.12
IUPAC Namechlorobenzene;5-(ethoxymethyl)-2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazole
SMILESCCOCc1sc(-c2ccnc(CC)c2)nc1C.Clc1ccccc1
InChIInChI=1S/C14H18N2OS.C6H5Cl/c1-4-12-8-11(6-7-15-12)14-16-10(3)13(18-14)9-17-5-2;7-6-4-2-1-3-5-6/h6-8H,4-5,9H2,1-3H3;1-5H
InChIKeyAHAXHFTVBMCSJK-UHFFFAOYSA-N
XLogP5.95
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.94
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of chlorobenzene;5-(ethoxymethyl)-2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazole?
The IUPAC name of chlorobenzene;5-(ethoxymethyl)-2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazole (CID 174714717) is chlorobenzene;5-(ethoxymethyl)-2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for chlorobenzene;5-(ethoxymethyl)-2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazole?
The canonical SMILES for chlorobenzene;5-(ethoxymethyl)-2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazole is CCOCc1sc(-c2ccnc(CC)c2)nc1C.Clc1ccccc1.
What is the InChIKey of chlorobenzene;5-(ethoxymethyl)-2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazole?
The InChIKey is AHAXHFTVBMCSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS.C6H5Cl/c1-4-12-8-11(6-7-15-12)14-16-10(3)13(18-14)9-17-5-2;7-6-4-2-1-3-5-6/h6-8H,4-5,9H2,1-3H3;1-5H.
What are the key properties of chlorobenzene;5-(ethoxymethyl)-2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazole?
chlorobenzene;5-(ethoxymethyl)-2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazole has a molecular weight of 374.94 g/mol, XLogP of 5.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chlorobenzene;5-(ethoxymethyl)-2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 174714717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).