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

C18H21N5OS2 — CID 651340

IUPAC4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]thiomorpholine
SMILESCOc1ccc(Cn2nnnc2C(c2cccs2)N2CCSCC2)cc1
InChIInChI=1S/C18H21N5OS2/c1-24-15-6-4-14(5-7-15)13-23-18(19-20-21-23)17(16-3-2-10-26-16)22-8-11-25-12-9-22/h2-7,10,17H,8-9,11-13H2,1H3
InChIKeyBYEJNSKTZJXOCU-UHFFFAOYSA-N
MW387.53 g/mol
LogP2.93
Rot. Bonds6

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

4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]thiomorpholine (PubChem CID 651340) has the molecular formula C18H21N5OS2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]thiomorpholine.

Molecular Properties

Compound Name4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]thiomorpholine
PubChem CID651340
Molecular FormulaC18H21N5OS2
Molecular Weight387.53 g/mol
Exact Mass387.12
IUPAC Name4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]thiomorpholine
SMILESCOc1ccc(Cn2nnnc2C(c2cccs2)N2CCSCC2)cc1
InChIInChI=1S/C18H21N5OS2/c1-24-15-6-4-14(5-7-15)13-23-18(19-20-21-23)17(16-3-2-10-26-16)22-8-11-25-12-9-22/h2-7,10,17H,8-9,11-13H2,1H3
InChIKeyBYEJNSKTZJXOCU-UHFFFAOYSA-N
XLogP2.93
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-Methoxy-phenyl)-4-[1-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-butyl]-piperazine
CID 647108
1-{[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-thiophen-2-yl-methyl}-4-phenyl-piperazine
CID 649016
4-{[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-thiophen-2-yl-methyl}-morpholine
CID 651994
1-Benzo[1,3]dioxol-5-ylmethyl-4-[(1-tert-butyl-1H-tetrazol-5-yl)-thiophen-2-yl-methyl]-piperazine
CID 3193631
5-(4-Methoxyphenyl)-7-(3-methylthien-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3244971
1-Benzo[1,3]dioxol-5-ylmethyl-4-[(1-phenethyl-1H-tetrazol-5-yl)-thiophen-2-yl-methyl]-piperazine
CID 6603028
1-(2-Methoxy-benzyl)-4-[3-methyl-1-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-butyl]-piperazine
CID 6603071
1-Ethyl-4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]piperazine;hydrochloride
CID 16192914
4-Benzyl-3-[(4-methoxyphenyl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazole
CID 11383828
1-[(2,4-Dimethoxy-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-piperidine-4-carboxylic acid amide
CID 646962
1-Benzo[1,3]dioxol-5-ylmethyl-4-[(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-p-tolyl-methyl]-piperazine
CID 648376
1-(2-Fluoro-phenyl)-4-[(4-methoxy-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-piperazine
CID 649190

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]thiomorpholine?
The IUPAC name of 4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]thiomorpholine (CID 651340) is 4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]thiomorpholine.
What is the SMILES notation for 4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]thiomorpholine?
The canonical SMILES for 4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]thiomorpholine is COc1ccc(Cn2nnnc2C(c2cccs2)N2CCSCC2)cc1.
What is the InChIKey of 4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]thiomorpholine?
The InChIKey is BYEJNSKTZJXOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS2/c1-24-15-6-4-14(5-7-15)13-23-18(19-20-21-23)17(16-3-2-10-26-16)22-8-11-25-12-9-22/h2-7,10,17H,8-9,11-13H2,1H3.
What are the key properties of 4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]thiomorpholine?
4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]thiomorpholine has a molecular weight of 387.53 g/mol, XLogP of 2.93, 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]thiomorpholine is sourced from PubChem (CID 651340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).