4-(1-phenyltetrazol-5-yl)-2-thiophen-2-ylmorpholine

C15H15N5OS — CID 133363497

IUPAC4-(1-phenyltetrazol-5-yl)-2-thiophen-2-ylmorpholine
SMILESc1ccc(-n2nnnc2N2CCOC(c3cccs3)C2)cc1
InChIInChI=1S/C15H15N5OS/c1-2-5-12(6-3-1)20-15(16-17-18-20)19-8-9-21-13(11-19)14-7-4-10-22-14/h1-7,10,13H,8-9,11H2
InChIKeyZCOIUGZHMCQAHL-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.30
Rot. Bonds3

About 4-(1-phenyltetrazol-5-yl)-2-thiophen-2-ylmorpholine

4-(1-phenyltetrazol-5-yl)-2-thiophen-2-ylmorpholine (PubChem CID 133363497) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 4-(1-phenyltetrazol-5-yl)-2-thiophen-2-ylmorpholine.

Molecular Properties

Compound Name4-(1-phenyltetrazol-5-yl)-2-thiophen-2-ylmorpholine
PubChem CID133363497
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name4-(1-phenyltetrazol-5-yl)-2-thiophen-2-ylmorpholine
SMILESc1ccc(-n2nnnc2N2CCOC(c3cccs3)C2)cc1
InChIInChI=1S/C15H15N5OS/c1-2-5-12(6-3-1)20-15(16-17-18-20)19-8-9-21-13(11-19)14-7-4-10-22-14/h1-7,10,13H,8-9,11H2
InChIKeyZCOIUGZHMCQAHL-UHFFFAOYSA-N
XLogP2.30
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(1-phenyltetrazol-5-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449904
(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(1-phenyltetrazol-5-yl)morpholine
CID 124744190
2-(bromomethyl)-4-(1-phenyltetrazol-5-yl)morpholine
CID 81211012
2-(2-methylphenyl)-4-[1-(4-methylphenyl)tetrazol-5-yl]morpholine
CID 133354117
4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-2-thiophen-2-ylmorpholine
CID 133363467
4-[1-(4-methylphenyl)tetrazol-5-yl]-2-phenyl-1,4-oxazepane
CID 138998130
1-phenyl-5-[(2R)-2-thiophen-2-ylmorpholine-4-carbonyl]pyrazole-3-carboxylic acid
CID 124701077
2-thiophen-2-yl-4-[6-(trifluoromethyl)pyridazin-3-yl]morpholine
CID 133420353
4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-thiophen-2-ylmorpholine
CID 133363593
2-thiophen-2-ylmorpholin-4-amine
CID 82280994
(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
CID 102986512
1-(1-phenyltetrazol-5-yl)piperidin-3-ol
CID 18074907

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenyltetrazol-5-yl)-2-thiophen-2-ylmorpholine?
The IUPAC name of 4-(1-phenyltetrazol-5-yl)-2-thiophen-2-ylmorpholine (CID 133363497) is 4-(1-phenyltetrazol-5-yl)-2-thiophen-2-ylmorpholine.
What is the SMILES notation for 4-(1-phenyltetrazol-5-yl)-2-thiophen-2-ylmorpholine?
The canonical SMILES for 4-(1-phenyltetrazol-5-yl)-2-thiophen-2-ylmorpholine is c1ccc(-n2nnnc2N2CCOC(c3cccs3)C2)cc1.
What is the InChIKey of 4-(1-phenyltetrazol-5-yl)-2-thiophen-2-ylmorpholine?
The InChIKey is ZCOIUGZHMCQAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-2-5-12(6-3-1)20-15(16-17-18-20)19-8-9-21-13(11-19)14-7-4-10-22-14/h1-7,10,13H,8-9,11H2.
What are the key properties of 4-(1-phenyltetrazol-5-yl)-2-thiophen-2-ylmorpholine?
4-(1-phenyltetrazol-5-yl)-2-thiophen-2-ylmorpholine has a molecular weight of 313.39 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenyltetrazol-5-yl)-2-thiophen-2-ylmorpholine is sourced from PubChem (CID 133363497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).