4-[4-[(3-chloro-2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]morpholine

C14H13ClF2N2OS — CID 91322921

IUPAC4-[4-[(3-chloro-2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]morpholine
SMILESFc1ccc(Cc2csc(N3CCOCC3)n2)c(F)c1Cl
InChIInChI=1S/C14H13ClF2N2OS/c15-12-11(16)2-1-9(13(12)17)7-10-8-21-14(18-10)19-3-5-20-6-4-19/h1-2,8H,3-7H2
InChIKeyGGBFJCGPSNNLQY-UHFFFAOYSA-N
MW330.79 g/mol
LogP3.50
Rot. Bonds3

About 4-[4-[(3-chloro-2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]morpholine

4-[4-[(3-chloro-2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]morpholine (PubChem CID 91322921) has the molecular formula C14H13ClF2N2OS and a molecular weight of 330.79 g/mol. Its IUPAC name is 4-[4-[(3-chloro-2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[(3-chloro-2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]morpholine
PubChem CID91322921
Molecular FormulaC14H13ClF2N2OS
Molecular Weight330.79 g/mol
Exact Mass330.04
IUPAC Name4-[4-[(3-chloro-2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]morpholine
SMILESFc1ccc(Cc2csc(N3CCOCC3)n2)c(F)c1Cl
InChIInChI=1S/C14H13ClF2N2OS/c15-12-11(16)2-1-9(13(12)17)7-10-8-21-14(18-10)19-3-5-20-6-4-19/h1-2,8H,3-7H2
InChIKeyGGBFJCGPSNNLQY-UHFFFAOYSA-N
XLogP3.50
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.79
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-[4-(3-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]morpholine
CID 122154747
4-[4-[2-(6-chloropyridazin-3-yl)oxy-3,4-difluorophenyl]-1,3-thiazol-2-yl]morpholine
CID 167513296
2-[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione
CID 71811114
(2,6-difluorophenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158646
4-[(2,4-dichlorophenyl)methyl]-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole
CID 87464710
2-[4-(4-chloro-5-fluoro-2-pyridinyl)piperazin-1-yl]-4-(chloromethyl)-1,3-thiazole
CID 20622938
bis(4-[(3-chlorophenyl)methyl]-2-piperazin-1-yl-1,3-thiazole);hydrate;tetrahydrochloride
CID 21153249
4-[4-(3-chloroprop-1-enyl)-1,3-thiazol-2-yl]morpholine
CID 169478013
4-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]morpholine;hydrochloride
CID 72720133
5-acetyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide
CID 91768510
[2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 53161116
4-[(3,5-dichlorophenyl)methyl]-2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(3,5-difluorophenyl)methyl]-1,3-thiazole
CID 161115019

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-chloro-2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[4-[(3-chloro-2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]morpholine (CID 91322921) is 4-[4-[(3-chloro-2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[4-[(3-chloro-2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[4-[(3-chloro-2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]morpholine is Fc1ccc(Cc2csc(N3CCOCC3)n2)c(F)c1Cl.
What is the InChIKey of 4-[4-[(3-chloro-2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]morpholine?
The InChIKey is GGBFJCGPSNNLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF2N2OS/c15-12-11(16)2-1-9(13(12)17)7-10-8-21-14(18-10)19-3-5-20-6-4-19/h1-2,8H,3-7H2.
What are the key properties of 4-[4-[(3-chloro-2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]morpholine?
4-[4-[(3-chloro-2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]morpholine has a molecular weight of 330.79 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-chloro-2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 91322921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).