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

C13H13ClN2OS — CID 1490732

IUPAC4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]morpholine
SMILESClc1ccc(-c2csc(N3CCOCC3)n2)cc1
InChIInChI=1S/C13H13ClN2OS/c14-11-3-1-10(2-4-11)12-9-18-13(15-12)16-5-7-17-8-6-16/h1-4,9H,5-8H2
InChIKeyGGDHOWPTGBRPMC-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.30
Rot. Bonds2

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

4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]morpholine (PubChem CID 1490732) has the molecular formula C13H13ClN2OS and a molecular weight of 280.78 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]morpholine
PubChem CID1490732
Molecular FormulaC13H13ClN2OS
Molecular Weight280.78 g/mol
Exact Mass280.04
IUPAC Name4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]morpholine
SMILESClc1ccc(-c2csc(N3CCOCC3)n2)cc1
InChIInChI=1S/C13H13ClN2OS/c14-11-3-1-10(2-4-11)12-9-18-13(15-12)16-5-7-17-8-6-16/h1-4,9H,5-8H2
InChIKeyGGDHOWPTGBRPMC-UHFFFAOYSA-N
XLogP3.30
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]morpholine (CID 1490732) is 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]morpholine is Clc1ccc(-c2csc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]morpholine?
The InChIKey is GGDHOWPTGBRPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2OS/c14-11-3-1-10(2-4-11)12-9-18-13(15-12)16-5-7-17-8-6-16/h1-4,9H,5-8H2.
What are the key properties of 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]morpholine?
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]morpholine has a molecular weight of 280.78 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 1490732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).