2-[2-[3-[2-chloro-5-(2-methylpropyl)-1,3-thiazol-4-yl]phenoxy]ethoxy]-N,N-dimethylethanamine

C19H27ClN2O2S — CID 167489558

IUPAC2-[2-[3-[2-chloro-5-(2-methylpropyl)-1,3-thiazol-4-yl]phenoxy]ethoxy]-N,N-dimethylethanamine
SMILESCC(C)Cc1sc(Cl)nc1-c1cccc(OCCOCCN(C)C)c1
InChIInChI=1S/C19H27ClN2O2S/c1-14(2)12-17-18(21-19(20)25-17)15-6-5-7-16(13-15)24-11-10-23-9-8-22(3)4/h5-7,13-14H,8-12H2,1-4H3
InChIKeyHLOQXTPVLZBRIN-UHFFFAOYSA-N
MW382.96 g/mol
LogP4.62
Rot. Bonds10

About 2-[2-[3-[2-chloro-5-(2-methylpropyl)-1,3-thiazol-4-yl]phenoxy]ethoxy]-N,N-dimethylethanamine

2-[2-[3-[2-chloro-5-(2-methylpropyl)-1,3-thiazol-4-yl]phenoxy]ethoxy]-N,N-dimethylethanamine (PubChem CID 167489558) has the molecular formula C19H27ClN2O2S and a molecular weight of 382.96 g/mol. Its IUPAC name is 2-[2-[3-[2-chloro-5-(2-methylpropyl)-1,3-thiazol-4-yl]phenoxy]ethoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-[3-[2-chloro-5-(2-methylpropyl)-1,3-thiazol-4-yl]phenoxy]ethoxy]-N,N-dimethylethanamine
PubChem CID167489558
Molecular FormulaC19H27ClN2O2S
Molecular Weight382.96 g/mol
Exact Mass382.15
IUPAC Name2-[2-[3-[2-chloro-5-(2-methylpropyl)-1,3-thiazol-4-yl]phenoxy]ethoxy]-N,N-dimethylethanamine
SMILESCC(C)Cc1sc(Cl)nc1-c1cccc(OCCOCCN(C)C)c1
InChIInChI=1S/C19H27ClN2O2S/c1-14(2)12-17-18(21-19(20)25-17)15-6-5-7-16(13-15)24-11-10-23-9-8-22(3)4/h5-7,13-14H,8-12H2,1-4H3
InChIKeyHLOQXTPVLZBRIN-UHFFFAOYSA-N
XLogP4.62
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.96
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-(2-methylpropyl)-4-(3-phenylmethoxyphenyl)-1,3-thiazole;ethane
CID 167489217
2-chloro-4-[4-chloro-3-(2-methoxyethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole
CID 167489349
2-chloro-4-[4-fluoro-3-(2-methoxyethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole
CID 167489213
2-[[4-[3-[2-[2-(diethylamino)ethoxy]ethoxy]phenyl]-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid
CID 168739583
N,N-dimethyl-2-[3-(2-methyloxazet-4-yl)phenoxy]ethanamine
CID 156795758
N,N-dimethyl-2-(3-phenylphenoxy)ethanamine
CID 14105422
2-chloro-4-(3-methoxyphenyl)-5-propan-2-yl-1,3-thiazole
CID 160973028
3-[2-(dimethylamino)ethoxy]-N-(2-methylpropyl)aniline
CID 43720849
2-chloro-5-[3-[2-(dimethylamino)ethoxy]phenyl]-N-phenylaniline;hydrochloride
CID 69326352
N,N-dimethyl-3-(3-phenylphenoxy)propan-1-amine
CID 21281267
2-[[4-[3-(2-methoxyethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-(1-methylsulfanylethenyl)pyridine-3-carboxylic acid
CID 167489290
2-[2-[2,6-di(propan-2-yl)phenoxy]ethoxy]-N,N-dimethylethanamine
CID 2182838

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[2-chloro-5-(2-methylpropyl)-1,3-thiazol-4-yl]phenoxy]ethoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-[3-[2-chloro-5-(2-methylpropyl)-1,3-thiazol-4-yl]phenoxy]ethoxy]-N,N-dimethylethanamine (CID 167489558) is 2-[2-[3-[2-chloro-5-(2-methylpropyl)-1,3-thiazol-4-yl]phenoxy]ethoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-[3-[2-chloro-5-(2-methylpropyl)-1,3-thiazol-4-yl]phenoxy]ethoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-[3-[2-chloro-5-(2-methylpropyl)-1,3-thiazol-4-yl]phenoxy]ethoxy]-N,N-dimethylethanamine is CC(C)Cc1sc(Cl)nc1-c1cccc(OCCOCCN(C)C)c1.
What is the InChIKey of 2-[2-[3-[2-chloro-5-(2-methylpropyl)-1,3-thiazol-4-yl]phenoxy]ethoxy]-N,N-dimethylethanamine?
The InChIKey is HLOQXTPVLZBRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O2S/c1-14(2)12-17-18(21-19(20)25-17)15-6-5-7-16(13-15)24-11-10-23-9-8-22(3)4/h5-7,13-14H,8-12H2,1-4H3.
What are the key properties of 2-[2-[3-[2-chloro-5-(2-methylpropyl)-1,3-thiazol-4-yl]phenoxy]ethoxy]-N,N-dimethylethanamine?
2-[2-[3-[2-chloro-5-(2-methylpropyl)-1,3-thiazol-4-yl]phenoxy]ethoxy]-N,N-dimethylethanamine has a molecular weight of 382.96 g/mol, XLogP of 4.62, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[2-chloro-5-(2-methylpropyl)-1,3-thiazol-4-yl]phenoxy]ethoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 167489558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).