5-chloro-2-[(4-morpholin-4-ylphenyl)methyl]-1,2-thiazol-3-one

C14H15ClN2O2S — CID 137347513

IUPAC5-chloro-2-[(4-morpholin-4-ylphenyl)methyl]-1,2-thiazol-3-one
SMILESO=c1cc(Cl)sn1Cc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H15ClN2O2S/c15-13-9-14(18)17(20-13)10-11-1-3-12(4-2-11)16-5-7-19-8-6-16/h1-4,9H,5-8,10H2
InChIKeyDMORQOYDEDLOKC-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.45
Rot. Bonds3

About 5-chloro-2-[(4-morpholin-4-ylphenyl)methyl]-1,2-thiazol-3-one

5-chloro-2-[(4-morpholin-4-ylphenyl)methyl]-1,2-thiazol-3-one (PubChem CID 137347513) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 5-chloro-2-[(4-morpholin-4-ylphenyl)methyl]-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-chloro-2-[(4-morpholin-4-ylphenyl)methyl]-1,2-thiazol-3-one
PubChem CID137347513
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name5-chloro-2-[(4-morpholin-4-ylphenyl)methyl]-1,2-thiazol-3-one
SMILESO=c1cc(Cl)sn1Cc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H15ClN2O2S/c15-13-9-14(18)17(20-13)10-11-1-3-12(4-2-11)16-5-7-19-8-6-16/h1-4,9H,5-8,10H2
InChIKeyDMORQOYDEDLOKC-UHFFFAOYSA-N
XLogP2.45
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-[[4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]methyl]-1,2-thiazol-3-one
CID 58775887
4-(4-ethylphenyl)morpholine
CID 20576442
(4-morpholin-4-ylphenyl)methanol
CID 2776456
4-(4-benzylphenyl)morpholine
CID 11514364
2-(4-morpholin-4-ylphenyl)ethanamine
CID 23009596
4-(4-prop-2-enylphenyl)morpholine
CID 70631563
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CID 67305085
1-[(4-chlorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one
CID 57398390
2-[4-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)phenyl]ethanamine
CID 170868542
1-[(4-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714996
2-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-morpholin-4-ylpyridazin-3-one
CID 114397080
CID 88962202
CID 88962202

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(4-morpholin-4-ylphenyl)methyl]-1,2-thiazol-3-one?
The IUPAC name of 5-chloro-2-[(4-morpholin-4-ylphenyl)methyl]-1,2-thiazol-3-one (CID 137347513) is 5-chloro-2-[(4-morpholin-4-ylphenyl)methyl]-1,2-thiazol-3-one.
What is the SMILES notation for 5-chloro-2-[(4-morpholin-4-ylphenyl)methyl]-1,2-thiazol-3-one?
The canonical SMILES for 5-chloro-2-[(4-morpholin-4-ylphenyl)methyl]-1,2-thiazol-3-one is O=c1cc(Cl)sn1Cc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 5-chloro-2-[(4-morpholin-4-ylphenyl)methyl]-1,2-thiazol-3-one?
The InChIKey is DMORQOYDEDLOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c15-13-9-14(18)17(20-13)10-11-1-3-12(4-2-11)16-5-7-19-8-6-16/h1-4,9H,5-8,10H2.
What are the key properties of 5-chloro-2-[(4-morpholin-4-ylphenyl)methyl]-1,2-thiazol-3-one?
5-chloro-2-[(4-morpholin-4-ylphenyl)methyl]-1,2-thiazol-3-one has a molecular weight of 310.81 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(4-morpholin-4-ylphenyl)methyl]-1,2-thiazol-3-one is sourced from PubChem (CID 137347513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).