N-ethyl-3-(1-methylpyrazol-4-yl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine

C15H19N3S2 — CID 103030285

IUPACN-ethyl-3-(1-methylpyrazol-4-yl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine
SMILESCCNC(CCc1cnn(C)c1)c1cc2sccc2s1
InChIInChI=1S/C15H19N3S2/c1-3-16-12(5-4-11-9-17-18(2)10-11)14-8-15-13(20-14)6-7-19-15/h6-10,12,16H,3-5H2,1-2H3
InChIKeyMBJVDFILGAZXDO-UHFFFAOYSA-N
MW305.47 g/mol
LogP3.98
Rot. Bonds6

About N-ethyl-3-(1-methylpyrazol-4-yl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine

N-ethyl-3-(1-methylpyrazol-4-yl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine (PubChem CID 103030285) has the molecular formula C15H19N3S2 and a molecular weight of 305.47 g/mol. Its IUPAC name is N-ethyl-3-(1-methylpyrazol-4-yl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(1-methylpyrazol-4-yl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine
PubChem CID103030285
Molecular FormulaC15H19N3S2
Molecular Weight305.47 g/mol
Exact Mass305.10
IUPAC NameN-ethyl-3-(1-methylpyrazol-4-yl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine
SMILESCCNC(CCc1cnn(C)c1)c1cc2sccc2s1
InChIInChI=1S/C15H19N3S2/c1-3-16-12(5-4-11-9-17-18(2)10-11)14-8-15-13(20-14)6-7-19-15/h6-10,12,16H,3-5H2,1-2H3
InChIKeyMBJVDFILGAZXDO-UHFFFAOYSA-N
XLogP3.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
[2-(1-methylpyrazol-4-yl)-1-thieno[3,2-b]thiophen-5-ylethyl]hydrazine
CID 105291254
N-ethyl-1-(3-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029901
N-ethyl-1-(4-fluoro-2-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011734
N-ethyl-3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)propan-1-amine
CID 103011526
1-(5-fluoro-1-benzothiophen-2-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103030193
N-ethyl-3-(1-methylpyrazol-4-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine
CID 103030288
N-ethyl-2-(5-methyl-2-pyridinyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 80745597
1-thieno[3,2-b]thiophen-5-ylbutylhydrazine
CID 105282348
N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103030235
N-ethyl-2-(1-propan-2-ylpyrazol-3-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 104990153
N-ethyl-1-(2-fluoro-4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011751

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(1-methylpyrazol-4-yl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine?
The IUPAC name of N-ethyl-3-(1-methylpyrazol-4-yl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine (CID 103030285) is N-ethyl-3-(1-methylpyrazol-4-yl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-(1-methylpyrazol-4-yl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine?
The canonical SMILES for N-ethyl-3-(1-methylpyrazol-4-yl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine is CCNC(CCc1cnn(C)c1)c1cc2sccc2s1.
What is the InChIKey of N-ethyl-3-(1-methylpyrazol-4-yl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine?
The InChIKey is MBJVDFILGAZXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S2/c1-3-16-12(5-4-11-9-17-18(2)10-11)14-8-15-13(20-14)6-7-19-15/h6-10,12,16H,3-5H2,1-2H3.
What are the key properties of N-ethyl-3-(1-methylpyrazol-4-yl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine?
N-ethyl-3-(1-methylpyrazol-4-yl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine has a molecular weight of 305.47 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(1-methylpyrazol-4-yl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine is sourced from PubChem (CID 103030285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).