1-[1-[2-(5-chlorothiophen-2-yl)ethyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine

C12H18ClN5OS — CID 106043176

IUPAC1-[1-[2-(5-chlorothiophen-2-yl)ethyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
SMILESCOCCNC(C)c1nnnn1CCc1ccc(Cl)s1
InChIInChI=1S/C12H18ClN5OS/c1-9(14-6-8-19-2)12-15-16-17-18(12)7-5-10-3-4-11(13)20-10/h3-4,9,14H,5-8H2,1-2H3
InChIKeySDPIAAUOUWDJKX-UHFFFAOYSA-N
MW315.83 g/mol
LogP1.93
Rot. Bonds8

About 1-[1-[2-(5-chlorothiophen-2-yl)ethyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine

1-[1-[2-(5-chlorothiophen-2-yl)ethyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine (PubChem CID 106043176) has the molecular formula C12H18ClN5OS and a molecular weight of 315.83 g/mol. Its IUPAC name is 1-[1-[2-(5-chlorothiophen-2-yl)ethyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name1-[1-[2-(5-chlorothiophen-2-yl)ethyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
PubChem CID106043176
Molecular FormulaC12H18ClN5OS
Molecular Weight315.83 g/mol
Exact Mass315.09
IUPAC Name1-[1-[2-(5-chlorothiophen-2-yl)ethyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
SMILESCOCCNC(C)c1nnnn1CCc1ccc(Cl)s1
InChIInChI=1S/C12H18ClN5OS/c1-9(14-6-8-19-2)12-15-16-17-18(12)7-5-10-3-4-11(13)20-10/h3-4,9,14H,5-8H2,1-2H3
InChIKeySDPIAAUOUWDJKX-UHFFFAOYSA-N
XLogP1.93
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.83
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-1-[1-(2-thiophen-3-ylethyl)tetrazol-5-yl]ethanamine
CID 103085887
N-(2-methoxyethyl)-1-[1-(3-phenylpropyl)tetrazol-5-yl]ethanamine
CID 103085538
1-(1-ethyltetrazol-5-yl)-N-(2-methoxyethyl)ethanamine
CID 103085409
N-(2-methoxyethyl)-1-[1-[2-(3-methylphenyl)ethyl]tetrazol-5-yl]ethanamine
CID 103085567
1-[1-[(4-bromophenyl)methyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 103085480
1-[1-[2-(4-chlorophenyl)ethyl]tetrazol-5-yl]-N-ethylethanamine
CID 103085817
1-[2-(5-bromothiophen-2-yl)ethyl]-5-(1-chloroethyl)tetrazole
CID 106042444
1-[1-(2,4-dichlorophenyl)tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 103084978
N-(2-methoxyethyl)-1-[1-(2,2,3,3-tetramethylcyclopropyl)tetrazol-5-yl]ethanamine
CID 103086509
N-(2-methoxyethyl)-1-[1-[2-(3-methylcyclohexyl)ethyl]tetrazol-5-yl]ethanamine
CID 103086270
N-(2-methoxyethyl)-1-[1-(2-methyl-2-methylsulfonylpropyl)tetrazol-5-yl]ethanamine
CID 103086514
1-[1-(4-bromo-2,3-dichlorophenyl)tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 107794145

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(5-chlorothiophen-2-yl)ethyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 1-[1-[2-(5-chlorothiophen-2-yl)ethyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine (CID 106043176) is 1-[1-[2-(5-chlorothiophen-2-yl)ethyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 1-[1-[2-(5-chlorothiophen-2-yl)ethyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 1-[1-[2-(5-chlorothiophen-2-yl)ethyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine is COCCNC(C)c1nnnn1CCc1ccc(Cl)s1.
What is the InChIKey of 1-[1-[2-(5-chlorothiophen-2-yl)ethyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine?
The InChIKey is SDPIAAUOUWDJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN5OS/c1-9(14-6-8-19-2)12-15-16-17-18(12)7-5-10-3-4-11(13)20-10/h3-4,9,14H,5-8H2,1-2H3.
What are the key properties of 1-[1-[2-(5-chlorothiophen-2-yl)ethyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine?
1-[1-[2-(5-chlorothiophen-2-yl)ethyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine has a molecular weight of 315.83 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(5-chlorothiophen-2-yl)ethyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 106043176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).