2-(chloromethyl)-5-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine

C11H17ClN2OS — CID 81210645

IUPAC2-(chloromethyl)-5-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine
SMILESCc1csc(CN2CC(CCl)OCC2C)n1
InChIInChI=1S/C11H17ClN2OS/c1-8-7-16-11(13-8)5-14-4-10(3-12)15-6-9(14)2/h7,9-10H,3-6H2,1-2H3
InChIKeyGBQGKMBQTAWCKI-UHFFFAOYSA-N
MW260.79 g/mol
LogP2.28
Rot. Bonds3

About 2-(chloromethyl)-5-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine

2-(chloromethyl)-5-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine (PubChem CID 81210645) has the molecular formula C11H17ClN2OS and a molecular weight of 260.79 g/mol. Its IUPAC name is 2-(chloromethyl)-5-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine.

Molecular Properties

Compound Name2-(chloromethyl)-5-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine
PubChem CID81210645
Molecular FormulaC11H17ClN2OS
Molecular Weight260.79 g/mol
Exact Mass260.08
IUPAC Name2-(chloromethyl)-5-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine
SMILESCc1csc(CN2CC(CCl)OCC2C)n1
InChIInChI=1S/C11H17ClN2OS/c1-8-7-16-11(13-8)5-14-4-10(3-12)15-6-9(14)2/h7,9-10H,3-6H2,1-2H3
InChIKeyGBQGKMBQTAWCKI-UHFFFAOYSA-N
XLogP2.28
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-5-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-5-methylmorpholin-2-yl]methanol
CID 81204811
[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81212773
6-(chloromethyl)-2,2-dimethyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine
CID 114780491
2-[(2,4-dimethylazetidin-1-yl)methyl]-4-methyl-1,3-thiazole
CID 131132321
4-[(4-chloro-2-fluorophenyl)methyl]-2-(chloromethyl)-5-methylmorpholine
CID 114859370
2-(chloromethyl)-4-[(2,4-difluorophenyl)methyl]-5-methylmorpholine
CID 81210281
2-(chloromethyl)-4-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylmorpholine
CID 81209952
2-(chloromethyl)-5-methyl-4-thieno[3,2-d]pyrimidin-4-ylmorpholine
CID 81209864
4-methyl-2-[(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole
CID 64945713
2-(chloromethyl)-4-(2-methoxyethyl)-5-methylmorpholine
CID 81210752
2-(chloromethyl)-4-hexyl-5-methylmorpholine
CID 81209823
4-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenol
CID 81219785

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine?
The IUPAC name of 2-(chloromethyl)-5-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine (CID 81210645) is 2-(chloromethyl)-5-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine.
What is the SMILES notation for 2-(chloromethyl)-5-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine?
The canonical SMILES for 2-(chloromethyl)-5-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine is Cc1csc(CN2CC(CCl)OCC2C)n1.
What is the InChIKey of 2-(chloromethyl)-5-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine?
The InChIKey is GBQGKMBQTAWCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2OS/c1-8-7-16-11(13-8)5-14-4-10(3-12)15-6-9(14)2/h7,9-10H,3-6H2,1-2H3.
What are the key properties of 2-(chloromethyl)-5-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine?
2-(chloromethyl)-5-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine has a molecular weight of 260.79 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine is sourced from PubChem (CID 81210645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).