N-[2-(2-methyltetrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethyl]propan-1-amine

C13H17N5S2 — CID 107065161

IUPACN-[2-(2-methyltetrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethyl]propan-1-amine
SMILESCCCNC(Cc1nnn(C)n1)c1cc2sccc2s1
InChIInChI=1S/C13H17N5S2/c1-3-5-14-9(7-13-15-17-18(2)16-13)11-8-12-10(20-11)4-6-19-12/h4,6,8-9,14H,3,5,7H2,1-2H3
InChIKeyDFONJUOLEZYTPH-UHFFFAOYSA-N
MW307.45 g/mol
LogP2.77
Rot. Bonds6

About N-[2-(2-methyltetrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethyl]propan-1-amine

N-[2-(2-methyltetrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethyl]propan-1-amine (PubChem CID 107065161) has the molecular formula C13H17N5S2 and a molecular weight of 307.45 g/mol. Its IUPAC name is N-[2-(2-methyltetrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methyltetrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethyl]propan-1-amine
PubChem CID107065161
Molecular FormulaC13H17N5S2
Molecular Weight307.45 g/mol
Exact Mass307.09
IUPAC NameN-[2-(2-methyltetrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethyl]propan-1-amine
SMILESCCCNC(Cc1nnn(C)n1)c1cc2sccc2s1
InChIInChI=1S/C13H17N5S2/c1-3-5-14-9(7-13-15-17-18(2)16-13)11-8-12-10(20-11)4-6-19-12/h4,6,8-9,14H,3,5,7H2,1-2H3
InChIKeyDFONJUOLEZYTPH-UHFFFAOYSA-N
XLogP2.77
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(1-methylpyrazol-4-yl)-1-thieno[3,2-b]thiophen-5-ylethyl]propan-1-amine
CID 115821315
N-[1-(3,5-dibromophenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107978041
1-(4,5-dibromothiophen-2-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107065425
N-[1-(3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107048347
N-[1-(5-chlorofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107065126
N-[1-(4-bromo-3,5-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107051286
N-[(3-methyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 105043457
N-[1-(4-ethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107064889
N-[1-(1,3-dimethylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107065029
N-ethyl-2-(2-methyltetrazol-5-yl)-1-(3-methylthiophen-2-yl)ethanamine
CID 107064997
N-[1-(4-methoxy-3-methylphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107050578
1-thieno[3,2-b]thiophen-5-ylbutylhydrazine
CID 105282348

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyltetrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethyl]propan-1-amine?
The IUPAC name of N-[2-(2-methyltetrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethyl]propan-1-amine (CID 107065161) is N-[2-(2-methyltetrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-methyltetrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-methyltetrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethyl]propan-1-amine is CCCNC(Cc1nnn(C)n1)c1cc2sccc2s1.
What is the InChIKey of N-[2-(2-methyltetrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethyl]propan-1-amine?
The InChIKey is DFONJUOLEZYTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S2/c1-3-5-14-9(7-13-15-17-18(2)16-13)11-8-12-10(20-11)4-6-19-12/h4,6,8-9,14H,3,5,7H2,1-2H3.
What are the key properties of N-[2-(2-methyltetrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethyl]propan-1-amine?
N-[2-(2-methyltetrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethyl]propan-1-amine has a molecular weight of 307.45 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyltetrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethyl]propan-1-amine is sourced from PubChem (CID 107065161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).