4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]morpholine

C18H21N5OS — CID 644519

IUPAC4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]morpholine
SMILESc1ccc(CCn2nnnc2C(c2cccs2)N2CCOCC2)cc1
InChIInChI=1S/C18H21N5OS/c1-2-5-15(6-3-1)8-9-23-18(19-20-21-23)17(16-7-4-14-25-16)22-10-12-24-13-11-22/h1-7,14,17H,8-13H2
InChIKeyLEQLUCRSNUPLDD-UHFFFAOYSA-N
MW355.47 g/mol
LogP2.40
Rot. Bonds6

About 4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]morpholine

4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]morpholine (PubChem CID 644519) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is 4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]morpholine.

Molecular Properties

Compound Name4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]morpholine
PubChem CID644519
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC Name4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]morpholine
SMILESc1ccc(CCn2nnnc2C(c2cccs2)N2CCOCC2)cc1
InChIInChI=1S/C18H21N5OS/c1-2-5-15(6-3-1)8-9-23-18(19-20-21-23)17(16-7-4-14-25-16)22-10-12-24-13-11-22/h1-7,14,17H,8-13H2
InChIKeyLEQLUCRSNUPLDD-UHFFFAOYSA-N
XLogP2.40
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Benzyl-[1-(1-tert-butyl-1H-tetrazol-5-yl)-2-methyl-propyl]-thiophen-2-ylmethyl-amine
CID 648935
1-Ethyl-4-[(4-fluoro-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-piperazine
CID 647074
1-Cyclohexyl-4-[(4-fluoro-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-piperazine
CID 650502
4-Benzyl-1-[(1-cyclopentyl-1H-tetrazol-5-yl)-thiophen-2-yl-methyl]-piperidine
CID 651241
N-[(1-cyclohexyl-5-tetrazolyl)-thiophen-2-ylmethyl]-N-(phenylmethyl)ethanamine
CID 654196
1-{[1-(4-Fluoro-benzyl)-1H-tetrazol-5-yl]-thiophen-2-yl-methyl}-azepane
CID 654539
1-Cyclopentyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 655925
2-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]-3,4-dihydro-1H-isoquinoline
CID 3193383
1-{[1-(2-Methoxy-ethyl)-1H-tetrazol-5-yl]-thiophen-2-yl-methyl}-4-(3-trifluoromethyl-phenyl)-piperazine
CID 3193436
Benzyl-[(1-cyclohexyl-1H-tetrazol-5-yl)-thiophen-2-yl-methyl]-(4-fluoro-benzyl)-amine
CID 3193725
2-[(1-Benzyl-1H-tetrazol-5-yl)-thiophen-2-yl-methyl]-1,2,3,4-tetrahydro-isoquinoline
CID 6602562
1-Cyclopentyl-4-[(4-fluoro-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-piperazine
CID 6602655

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]morpholine?
The IUPAC name of 4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]morpholine (CID 644519) is 4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]morpholine.
What is the SMILES notation for 4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]morpholine?
The canonical SMILES for 4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]morpholine is c1ccc(CCn2nnnc2C(c2cccs2)N2CCOCC2)cc1.
What is the InChIKey of 4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]morpholine?
The InChIKey is LEQLUCRSNUPLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-2-5-15(6-3-1)8-9-23-18(19-20-21-23)17(16-7-4-14-25-16)22-10-12-24-13-11-22/h1-7,14,17H,8-13H2.
What are the key properties of 4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]morpholine?
4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]morpholine has a molecular weight of 355.47 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]morpholine is sourced from PubChem (CID 644519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).