3-(2-benzyl-1,2,4-triazol-3-yl)-4-(1,3-thiazol-2-yl)morpholine

C16H17N5OS — CID 154770896

IUPAC3-(2-benzyl-1,2,4-triazol-3-yl)-4-(1,3-thiazol-2-yl)morpholine
SMILESc1ccc(Cn2ncnc2C2COCCN2c2nccs2)cc1
InChIInChI=1S/C16H17N5OS/c1-2-4-13(5-3-1)10-21-15(18-12-19-21)14-11-22-8-7-20(14)16-17-6-9-23-16/h1-6,9,12,14H,7-8,10-11H2
InChIKeyCVBIEVDFGYWPAG-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.36
Rot. Bonds4

About 3-(2-benzyl-1,2,4-triazol-3-yl)-4-(1,3-thiazol-2-yl)morpholine

3-(2-benzyl-1,2,4-triazol-3-yl)-4-(1,3-thiazol-2-yl)morpholine (PubChem CID 154770896) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 3-(2-benzyl-1,2,4-triazol-3-yl)-4-(1,3-thiazol-2-yl)morpholine.

Molecular Properties

Compound Name3-(2-benzyl-1,2,4-triazol-3-yl)-4-(1,3-thiazol-2-yl)morpholine
PubChem CID154770896
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name3-(2-benzyl-1,2,4-triazol-3-yl)-4-(1,3-thiazol-2-yl)morpholine
SMILESc1ccc(Cn2ncnc2C2COCCN2c2nccs2)cc1
InChIInChI=1S/C16H17N5OS/c1-2-4-13(5-3-1)10-21-15(18-12-19-21)14-11-22-8-7-20(14)16-17-6-9-23-16/h1-6,9,12,14H,7-8,10-11H2
InChIKeyCVBIEVDFGYWPAG-UHFFFAOYSA-N
XLogP2.36
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[4-(2-Methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 2497201
4-[(2-Phenyl-1,3-thiazol-4-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 53624163
4-(2-(1-(2-fluorobenzyl)-5-(thiazol-2-yl)-1H-1,2,4-triazol-3-yl)pyridin-4-yl)morpholine
CID 69092145
ethyl 1-(2-fluorobenzyl)-5-(thiazol-2-yl)-1H-1,2,4-triazole-3-carboxylate
CID 69093312
ethyl 1-(2-fluorobenzyl)-3-(thiazol-2-yl)-1H-1,2,4-triazole-5-carboxylate
CID 69094030
1-[(2-fluorophenyl)methyl]-N-methylidene-N'-propanimidoyl-5-(1,3-thiazol-2-yl)-1,2,4-triazole-3-carboximidamide
CID 123277926
2-[2-[(2-Fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole
CID 141341040
4-[4-Benzyl-5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,2,4-triazol-3-yl]morpholine
CID 24562221
4-[2-[3-(4-Fluorophenyl)-5-(2-imidazol-1-ylethylsulfanyl)-1,2,4-triazol-4-yl]ethyl]morpholine
CID 71910506
4-[5-[(4-Fluorophenyl)methyl]-4-(oxolan-3-ylmethyl)-1,2,4-triazol-3-yl]-2-(1,3-thiazol-2-yl)morpholine
CID 121556660
(2S)-4-[5-[(4-fluorophenyl)methyl]-4-[[(3R)-oxolan-3-yl]methyl]-1,2,4-triazol-3-yl]-2-(1,3-thiazol-2-yl)morpholine
CID 124731500
(2R)-4-[5-[(4-fluorophenyl)methyl]-4-[[(3S)-oxolan-3-yl]methyl]-1,2,4-triazol-3-yl]-2-(1,3-thiazol-2-yl)morpholine
CID 124731501

Frequently Asked Questions

What is the IUPAC name of 3-(2-benzyl-1,2,4-triazol-3-yl)-4-(1,3-thiazol-2-yl)morpholine?
The IUPAC name of 3-(2-benzyl-1,2,4-triazol-3-yl)-4-(1,3-thiazol-2-yl)morpholine (CID 154770896) is 3-(2-benzyl-1,2,4-triazol-3-yl)-4-(1,3-thiazol-2-yl)morpholine.
What is the SMILES notation for 3-(2-benzyl-1,2,4-triazol-3-yl)-4-(1,3-thiazol-2-yl)morpholine?
The canonical SMILES for 3-(2-benzyl-1,2,4-triazol-3-yl)-4-(1,3-thiazol-2-yl)morpholine is c1ccc(Cn2ncnc2C2COCCN2c2nccs2)cc1.
What is the InChIKey of 3-(2-benzyl-1,2,4-triazol-3-yl)-4-(1,3-thiazol-2-yl)morpholine?
The InChIKey is CVBIEVDFGYWPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-2-4-13(5-3-1)10-21-15(18-12-19-21)14-11-22-8-7-20(14)16-17-6-9-23-16/h1-6,9,12,14H,7-8,10-11H2.
What are the key properties of 3-(2-benzyl-1,2,4-triazol-3-yl)-4-(1,3-thiazol-2-yl)morpholine?
3-(2-benzyl-1,2,4-triazol-3-yl)-4-(1,3-thiazol-2-yl)morpholine has a molecular weight of 327.41 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-benzyl-1,2,4-triazol-3-yl)-4-(1,3-thiazol-2-yl)morpholine is sourced from PubChem (CID 154770896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).