4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine

C18H18Cl2N4O2S — CID 44534548

IUPAC4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine
SMILESClc1ccc(-c2cc(-c3csc(NCCN4CCOCC4)n3)on2)c(Cl)c1
InChIInChI=1S/C18H18Cl2N4O2S/c19-12-1-2-13(14(20)9-12)15-10-17(26-23-15)16-11-27-18(22-16)21-3-4-24-5-7-25-8-6-24/h1-2,9-11H,3-8H2,(H,21,22)
InChIKeyGSTDFCZJMUUQTM-UHFFFAOYSA-N
MW425.34 g/mol
LogP4.52
Rot. Bonds6

About 4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine

4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine (PubChem CID 44534548) has the molecular formula C18H18Cl2N4O2S and a molecular weight of 425.34 g/mol. Its IUPAC name is 4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine
PubChem CID44534548
Molecular FormulaC18H18Cl2N4O2S
Molecular Weight425.34 g/mol
Exact Mass424.05
IUPAC Name4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine
SMILESClc1ccc(-c2cc(-c3csc(NCCN4CCOCC4)n3)on2)c(Cl)c1
InChIInChI=1S/C18H18Cl2N4O2S/c19-12-1-2-13(14(20)9-12)15-10-17(26-23-15)16-11-27-18(22-16)21-3-4-24-5-7-25-8-6-24/h1-2,9-11H,3-8H2,(H,21,22)
InChIKeyGSTDFCZJMUUQTM-UHFFFAOYSA-N
XLogP4.52
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.34
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine (CID 44534548) is 4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine is Clc1ccc(-c2cc(-c3csc(NCCN4CCOCC4)n3)on2)c(Cl)c1.
What is the InChIKey of 4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine?
The InChIKey is GSTDFCZJMUUQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4O2S/c19-12-1-2-13(14(20)9-12)15-10-17(26-23-15)16-11-27-18(22-16)21-3-4-24-5-7-25-8-6-24/h1-2,9-11H,3-8H2,(H,21,22).
What are the key properties of 4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine?
4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine has a molecular weight of 425.34 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 44534548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).