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

C18H21N5O2S — CID 72881736

IUPAC2-[[2-(4-methoxyphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCOc1ccc(-n2nc(-c3csc(C)n3)nc2CC2CNCCO2)cc1
InChIInChI=1S/C18H21N5O2S/c1-12-20-16(11-26-12)18-21-17(9-15-10-19-7-8-25-15)23(22-18)13-3-5-14(24-2)6-4-13/h3-6,11,15,19H,7-10H2,1-2H3
InChIKeyLFFICBJSUNJPRH-UHFFFAOYSA-N
MW371.47 g/mol
LogP2.24
Rot. Bonds5

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

2-[[2-(4-methoxyphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine (PubChem CID 72881736) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is 2-[[2-(4-methoxyphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name2-[[2-(4-methoxyphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine
PubChem CID72881736
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC Name2-[[2-(4-methoxyphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCOc1ccc(-n2nc(-c3csc(C)n3)nc2CC2CNCCO2)cc1
InChIInChI=1S/C18H21N5O2S/c1-12-20-16(11-26-12)18-21-17(9-15-10-19-7-8-25-15)23(22-18)13-3-5-14(24-2)6-4-13/h3-6,11,15,19H,7-10H2,1-2H3
InChIKeyLFFICBJSUNJPRH-UHFFFAOYSA-N
XLogP2.24
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]morpholine
CID 79512215
(2R)-2-[[2-(3-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 95224109
4-[1-(3-fluorophenyl)-5-[[(2S)-oxolan-2-yl]methoxymethyl]-1,2,4-triazol-3-yl]-2-methyl-1,3-thiazole
CID 97438447
2-[[2-(3-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine;hydrochloride
CID 171686957
(2S)-2-[[2-(2-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]morpholine
CID 97445359
(2R)-2-[[2-(2-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]morpholine
CID 97445358
2-[(6-methylnaphthalen-2-yl)methyl]morpholine
CID 116927898
2-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]methyl]morpholine
CID 175553104
2-[(1,5-dimethylbenzimidazol-2-yl)methyl]morpholine
CID 66420976
2-[2-(4-methylphenoxy)ethyl]morpholine
CID 54402236
N-[(4-methoxyphenyl)methyl]-1-morpholin-2-ylmethanamine
CID 115237605
2-[(1-ethylimidazo[4,5-c]pyridin-2-yl)methyl]morpholine
CID 66434957

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxyphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine?
The IUPAC name of 2-[[2-(4-methoxyphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine (CID 72881736) is 2-[[2-(4-methoxyphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine.
What is the SMILES notation for 2-[[2-(4-methoxyphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine?
The canonical SMILES for 2-[[2-(4-methoxyphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine is COc1ccc(-n2nc(-c3csc(C)n3)nc2CC2CNCCO2)cc1.
What is the InChIKey of 2-[[2-(4-methoxyphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine?
The InChIKey is LFFICBJSUNJPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-12-20-16(11-26-12)18-21-17(9-15-10-19-7-8-25-15)23(22-18)13-3-5-14(24-2)6-4-13/h3-6,11,15,19H,7-10H2,1-2H3.
What are the key properties of 2-[[2-(4-methoxyphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine?
2-[[2-(4-methoxyphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine has a molecular weight of 371.47 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methoxyphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine is sourced from PubChem (CID 72881736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).