N-[(3-propyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine

C14H18N4S2 — CID 105038758

IUPACN-[(3-propyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
SMILESCCCn1nncc1C(NCC)c1cc2sccc2s1
InChIInChI=1S/C14H18N4S2/c1-3-6-18-10(9-16-17-18)14(15-4-2)13-8-12-11(20-13)5-7-19-12/h5,7-9,14-15H,3-4,6H2,1-2H3
InChIKeyQTYSFYFGQQVOPV-UHFFFAOYSA-N
MW306.46 g/mol
LogP3.66
Rot. Bonds6

About N-[(3-propyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine

N-[(3-propyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine (PubChem CID 105038758) has the molecular formula C14H18N4S2 and a molecular weight of 306.46 g/mol. Its IUPAC name is N-[(3-propyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3-propyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
PubChem CID105038758
Molecular FormulaC14H18N4S2
Molecular Weight306.46 g/mol
Exact Mass306.10
IUPAC NameN-[(3-propyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
SMILESCCCn1nncc1C(NCC)c1cc2sccc2s1
InChIInChI=1S/C14H18N4S2/c1-3-6-18-10(9-16-17-18)14(15-4-2)13-8-12-11(20-13)5-7-19-12/h5,7-9,14-15H,3-4,6H2,1-2H3
InChIKeyQTYSFYFGQQVOPV-UHFFFAOYSA-N
XLogP3.66
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-methyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 105043457
N-[(5-bromothiophen-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 114687820
N-[(3,5-dimethylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105038920
N-[(3,4-dimethylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105038808
N-[(4-bromophenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 114687035
N-[(3-propyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923832
N-[(4,5-dimethylthiophen-2-yl)-(3-ethyltriazol-4-yl)methyl]ethanamine
CID 114213501
N-[(2-fluoro-4-methylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105038772
N-[(5-chloro-2-methylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105038903
(3-methyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 105043877
N-[(2-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 115793012
N-[(2-ethyl-5-methylpyrazol-3-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105182281

Frequently Asked Questions

What is the IUPAC name of N-[(3-propyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine?
The IUPAC name of N-[(3-propyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine (CID 105038758) is N-[(3-propyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine.
What is the SMILES notation for N-[(3-propyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine?
The canonical SMILES for N-[(3-propyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine is CCCn1nncc1C(NCC)c1cc2sccc2s1.
What is the InChIKey of N-[(3-propyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine?
The InChIKey is QTYSFYFGQQVOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S2/c1-3-6-18-10(9-16-17-18)14(15-4-2)13-8-12-11(20-13)5-7-19-12/h5,7-9,14-15H,3-4,6H2,1-2H3.
What are the key properties of N-[(3-propyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine?
N-[(3-propyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine has a molecular weight of 306.46 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine is sourced from PubChem (CID 105038758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).