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

C18H21N5O2S — CID 651994

IUPAC4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]morpholine
SMILESCOc1ccc(Cn2nnnc2C(c2cccs2)N2CCOCC2)cc1
InChIInChI=1S/C18H21N5O2S/c1-24-15-6-4-14(5-7-15)13-23-18(19-20-21-23)17(16-3-2-12-26-16)22-8-10-25-11-9-22/h2-7,12,17H,8-11,13H2,1H3
InChIKeyNOVVABBCUYGIRE-UHFFFAOYSA-N
MW371.47 g/mol
LogP2.21
Rot. Bonds6

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

4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]morpholine (PubChem CID 651994) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is 4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]morpholine.

Molecular Properties

Compound Name4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]morpholine
PubChem CID651994
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC Name4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]morpholine
SMILESCOc1ccc(Cn2nnnc2C(c2cccs2)N2CCOCC2)cc1
InChIInChI=1S/C18H21N5O2S/c1-24-15-6-4-14(5-7-15)13-23-18(19-20-21-23)17(16-3-2-12-26-16)22-8-10-25-11-9-22/h2-7,12,17H,8-11,13H2,1H3
InChIKeyNOVVABBCUYGIRE-UHFFFAOYSA-N
XLogP2.21
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-{[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-thiophen-2-yl-methyl}-4-phenyl-piperazine
CID 649016
Furan-2-ylmethyl-{1-[1-(4-methoxy-benzyl)-1H-tetrazol-5-yl]-2-methyl-propyl}-thiophen-2-ylmethyl-amine
CID 649280
1-Benzo[1,3]dioxol-5-ylmethyl-4-[(1-tert-butyl-1H-tetrazol-5-yl)-thiophen-2-yl-methyl]-piperazine
CID 3193631
1-(2-Methoxy-benzyl)-4-[3-methyl-1-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-butyl]-piperazine
CID 6603071
1-[[1-(2-Methoxy-ethyl)-1H-tetrazol-5-yl]-(4-methoxy-phenyl)-methyl]-4-methyl-piperidine
CID 645560
1-(2-Fluoro-phenyl)-4-[(4-methoxy-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-piperazine
CID 649190
4-{[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-thiophen-2-yl-methyl}-thiomorpholine
CID 651340
4-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-ylmethyl]-morpholine
CID 653585
1-{[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-thiophen-2-yl-methyl}-azepane
CID 3193608
8-(4-propan-2-yloxyphenyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
CID 118169568
1-[(2-Methoxyphenyl)methyl]-4-[3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
CID 650185
1-(1,3-Benzodioxol-5-ylmethyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine
CID 651919

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]morpholine?
The IUPAC name of 4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]morpholine (CID 651994) is 4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]morpholine.
What is the SMILES notation for 4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]morpholine?
The canonical SMILES for 4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]morpholine is COc1ccc(Cn2nnnc2C(c2cccs2)N2CCOCC2)cc1.
What is the InChIKey of 4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]morpholine?
The InChIKey is NOVVABBCUYGIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-24-15-6-4-14(5-7-15)13-23-18(19-20-21-23)17(16-3-2-12-26-16)22-8-10-25-11-9-22/h2-7,12,17H,8-11,13H2,1H3.
What are the key properties of 4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]morpholine?
4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]morpholine has a molecular weight of 371.47 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]morpholine is sourced from PubChem (CID 651994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).