4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]morpholine

C13H12Cl2N2OS — CID 802764

IUPAC4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]morpholine
SMILESClc1ccc(-c2csc(N3CCOCC3)n2)c(Cl)c1
InChIInChI=1S/C13H12Cl2N2OS/c14-9-1-2-10(11(15)7-9)12-8-19-13(16-12)17-3-5-18-6-4-17/h1-2,7-8H,3-6H2
InChIKeyIXDNGVLGGCIRDA-UHFFFAOYSA-N
MW315.23 g/mol
LogP3.95
Rot. Bonds2

About 4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]morpholine

4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]morpholine (PubChem CID 802764) has the molecular formula C13H12Cl2N2OS and a molecular weight of 315.23 g/mol. Its IUPAC name is 4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]morpholine
PubChem CID802764
Molecular FormulaC13H12Cl2N2OS
Molecular Weight315.23 g/mol
Exact Mass314.00
IUPAC Name4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]morpholine
SMILESClc1ccc(-c2csc(N3CCOCC3)n2)c(Cl)c1
InChIInChI=1S/C13H12Cl2N2OS/c14-9-1-2-10(11(15)7-9)12-8-19-13(16-12)17-3-5-18-6-4-17/h1-2,7-8H,3-6H2
InChIKeyIXDNGVLGGCIRDA-UHFFFAOYSA-N
XLogP3.95
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]morpholine (CID 802764) is 4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]morpholine is Clc1ccc(-c2csc(N3CCOCC3)n2)c(Cl)c1.
What is the InChIKey of 4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]morpholine?
The InChIKey is IXDNGVLGGCIRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2OS/c14-9-1-2-10(11(15)7-9)12-8-19-13(16-12)17-3-5-18-6-4-17/h1-2,7-8H,3-6H2.
What are the key properties of 4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]morpholine?
4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]morpholine has a molecular weight of 315.23 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 802764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).