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

C17H21ClN2OS — CID 175037680

IUPAC4-[[4-[4-(chloromethyl)-5-methyl-1,3-thiazol-2-yl]phenyl]methyl]-3-methylmorpholine
SMILESCc1sc(-c2ccc(CN3CCOCC3C)cc2)nc1CCl
InChIInChI=1S/C17H21ClN2OS/c1-12-11-21-8-7-20(12)10-14-3-5-15(6-4-14)17-19-16(9-18)13(2)22-17/h3-6,12H,7-11H2,1-2H3
InChIKeyCWZGFEUMTDZQDJ-UHFFFAOYSA-N
MW336.89 g/mol
LogP4.08
Rot. Bonds4

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

4-[[4-[4-(chloromethyl)-5-methyl-1,3-thiazol-2-yl]phenyl]methyl]-3-methylmorpholine (PubChem CID 175037680) has the molecular formula C17H21ClN2OS and a molecular weight of 336.89 g/mol. Its IUPAC name is 4-[[4-[4-(chloromethyl)-5-methyl-1,3-thiazol-2-yl]phenyl]methyl]-3-methylmorpholine.

Molecular Properties

Compound Name4-[[4-[4-(chloromethyl)-5-methyl-1,3-thiazol-2-yl]phenyl]methyl]-3-methylmorpholine
PubChem CID175037680
Molecular FormulaC17H21ClN2OS
Molecular Weight336.89 g/mol
Exact Mass336.11
IUPAC Name4-[[4-[4-(chloromethyl)-5-methyl-1,3-thiazol-2-yl]phenyl]methyl]-3-methylmorpholine
SMILESCc1sc(-c2ccc(CN3CCOCC3C)cc2)nc1CCl
InChIInChI=1S/C17H21ClN2OS/c1-12-11-21-8-7-20(12)10-14-3-5-15(6-4-14)17-19-16(9-18)13(2)22-17/h3-6,12H,7-11H2,1-2H3
InChIKeyCWZGFEUMTDZQDJ-UHFFFAOYSA-N
XLogP4.08
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.89
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[[4-[4-(chloromethyl)-5-methyl-1,3-thiazol-2-yl]phenyl]methyl]-3-methylmorpholine 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

[2-[4-[[(3S)-3-methylmorpholin-4-yl]methyl]phenyl]-1,3-thiazol-4-yl]methanol
CID 175037646
4-[(4-methoxyphenyl)methyl]-3-methylmorpholine
CID 67042011
[4-[(3-methylmorpholin-4-yl)methyl]phenyl]methanol
CID 110008118
4-[(3-methylmorpholin-4-yl)methyl]phenol
CID 82972800
(3S)-3-methyl-4-[(4-propan-2-ylphenyl)methyl]morpholine
CID 59376141
5-chloro-6-[(3-methylmorpholin-4-yl)methyl]pyridin-2-amine
CID 62892343
4-[(3-methylmorpholin-4-yl)methyl]benzohydrazide
CID 63574051
5-[(3-methylmorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 79772681
(3R)-4-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylmorpholine
CID 34553713
N-methyl-6-[(3-methylmorpholin-4-yl)methyl]pyridin-2-amine
CID 79242723
N-methyl-4-[(3-methylmorpholin-4-yl)methyl]-2-nitroaniline
CID 62182937
3-[(3-methylmorpholin-4-yl)methyl]benzonitrile
CID 43429112

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(chloromethyl)-5-methyl-1,3-thiazol-2-yl]phenyl]methyl]-3-methylmorpholine?
The IUPAC name of 4-[[4-[4-(chloromethyl)-5-methyl-1,3-thiazol-2-yl]phenyl]methyl]-3-methylmorpholine (CID 175037680) is 4-[[4-[4-(chloromethyl)-5-methyl-1,3-thiazol-2-yl]phenyl]methyl]-3-methylmorpholine.
What is the SMILES notation for 4-[[4-[4-(chloromethyl)-5-methyl-1,3-thiazol-2-yl]phenyl]methyl]-3-methylmorpholine?
The canonical SMILES for 4-[[4-[4-(chloromethyl)-5-methyl-1,3-thiazol-2-yl]phenyl]methyl]-3-methylmorpholine is Cc1sc(-c2ccc(CN3CCOCC3C)cc2)nc1CCl.
What is the InChIKey of 4-[[4-[4-(chloromethyl)-5-methyl-1,3-thiazol-2-yl]phenyl]methyl]-3-methylmorpholine?
The InChIKey is CWZGFEUMTDZQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2OS/c1-12-11-21-8-7-20(12)10-14-3-5-15(6-4-14)17-19-16(9-18)13(2)22-17/h3-6,12H,7-11H2,1-2H3.
What are the key properties of 4-[[4-[4-(chloromethyl)-5-methyl-1,3-thiazol-2-yl]phenyl]methyl]-3-methylmorpholine?
4-[[4-[4-(chloromethyl)-5-methyl-1,3-thiazol-2-yl]phenyl]methyl]-3-methylmorpholine has a molecular weight of 336.89 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(chloromethyl)-5-methyl-1,3-thiazol-2-yl]phenyl]methyl]-3-methylmorpholine is sourced from PubChem (CID 175037680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).