4-[[4-methoxy-3-(1,3-thiazol-2-yl)phenyl]methyl]-2-(1-methyltetrazol-5-yl)morpholine

C17H20N6O2S — CID 170507338

IUPAC4-[[4-methoxy-3-(1,3-thiazol-2-yl)phenyl]methyl]-2-(1-methyltetrazol-5-yl)morpholine
SMILESCOc1ccc(CN2CCOC(c3nnnn3C)C2)cc1-c1nccs1
InChIInChI=1S/C17H20N6O2S/c1-22-16(19-20-21-22)15-11-23(6-7-25-15)10-12-3-4-14(24-2)13(9-12)17-18-5-8-26-17/h3-5,8-9,15H,6-7,10-11H2,1-2H3
InChIKeyIRRYVIDZZYDYFU-UHFFFAOYSA-N
MW372.45 g/mol
LogP1.92
Rot. Bonds5

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

4-[[4-methoxy-3-(1,3-thiazol-2-yl)phenyl]methyl]-2-(1-methyltetrazol-5-yl)morpholine (PubChem CID 170507338) has the molecular formula C17H20N6O2S and a molecular weight of 372.45 g/mol. Its IUPAC name is 4-[[4-methoxy-3-(1,3-thiazol-2-yl)phenyl]methyl]-2-(1-methyltetrazol-5-yl)morpholine.

Molecular Properties

Compound Name4-[[4-methoxy-3-(1,3-thiazol-2-yl)phenyl]methyl]-2-(1-methyltetrazol-5-yl)morpholine
PubChem CID170507338
Molecular FormulaC17H20N6O2S
Molecular Weight372.45 g/mol
Exact Mass372.14
IUPAC Name4-[[4-methoxy-3-(1,3-thiazol-2-yl)phenyl]methyl]-2-(1-methyltetrazol-5-yl)morpholine
SMILESCOc1ccc(CN2CCOC(c3nnnn3C)C2)cc1-c1nccs1
InChIInChI=1S/C17H20N6O2S/c1-22-16(19-20-21-22)15-11-23(6-7-25-15)10-12-3-4-14(24-2)13(9-12)17-18-5-8-26-17/h3-5,8-9,15H,6-7,10-11H2,1-2H3
InChIKeyIRRYVIDZZYDYFU-UHFFFAOYSA-N
XLogP1.92
TPSA78.19 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2-(1-methyltetrazol-5-yl)morpholine
CID 162629473
2-(1-methyltetrazol-5-yl)-4-[(2-phenylpyrazol-3-yl)methyl]morpholine
CID 157015628
(2S)-4-[2-(2-methoxyphenoxy)ethyl]-2-(1,3-thiazol-2-yl)morpholine
CID 129403722
1-methyl-6-[[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methyl]-3,4-dihydroquinolin-2-one
CID 124619007
(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]morpholine
CID 124841302
2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]morpholine
CID 91844335
2-(1-methyltetrazol-5-yl)-4-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]morpholine
CID 162635741
4-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-2,6-dimethoxyphenol
CID 95553357
(2R)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-thiophen-3-ylmorpholine
CID 124622385
4-[(3-bromo-4-methoxyphenyl)methyl]-2-methylmorpholine
CID 60705276
4-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylmorpholine
CID 51074764
4-(6,7-dimethoxy-4-methylquinolin-2-yl)-2-(1-methyltetrazol-5-yl)morpholine
CID 166614364

Frequently Asked Questions

What is the IUPAC name of 4-[[4-methoxy-3-(1,3-thiazol-2-yl)phenyl]methyl]-2-(1-methyltetrazol-5-yl)morpholine?
The IUPAC name of 4-[[4-methoxy-3-(1,3-thiazol-2-yl)phenyl]methyl]-2-(1-methyltetrazol-5-yl)morpholine (CID 170507338) is 4-[[4-methoxy-3-(1,3-thiazol-2-yl)phenyl]methyl]-2-(1-methyltetrazol-5-yl)morpholine.
What is the SMILES notation for 4-[[4-methoxy-3-(1,3-thiazol-2-yl)phenyl]methyl]-2-(1-methyltetrazol-5-yl)morpholine?
The canonical SMILES for 4-[[4-methoxy-3-(1,3-thiazol-2-yl)phenyl]methyl]-2-(1-methyltetrazol-5-yl)morpholine is COc1ccc(CN2CCOC(c3nnnn3C)C2)cc1-c1nccs1.
What is the InChIKey of 4-[[4-methoxy-3-(1,3-thiazol-2-yl)phenyl]methyl]-2-(1-methyltetrazol-5-yl)morpholine?
The InChIKey is IRRYVIDZZYDYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2S/c1-22-16(19-20-21-22)15-11-23(6-7-25-15)10-12-3-4-14(24-2)13(9-12)17-18-5-8-26-17/h3-5,8-9,15H,6-7,10-11H2,1-2H3.
What are the key properties of 4-[[4-methoxy-3-(1,3-thiazol-2-yl)phenyl]methyl]-2-(1-methyltetrazol-5-yl)morpholine?
4-[[4-methoxy-3-(1,3-thiazol-2-yl)phenyl]methyl]-2-(1-methyltetrazol-5-yl)morpholine has a molecular weight of 372.45 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-methoxy-3-(1,3-thiazol-2-yl)phenyl]methyl]-2-(1-methyltetrazol-5-yl)morpholine is sourced from PubChem (CID 170507338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).