4-ethoxy-5-N-(1-thiophen-2-ylbutyl)-1,2-thiazole-3,5-diamine

C13H19N3OS2 — CID 103360094

IUPAC4-ethoxy-5-N-(1-thiophen-2-ylbutyl)-1,2-thiazole-3,5-diamine
SMILESCCCC(Nc1snc(N)c1OCC)c1cccs1
InChIInChI=1S/C13H19N3OS2/c1-3-6-9(10-7-5-8-18-10)15-13-11(17-4-2)12(14)16-19-13/h5,7-9,15H,3-4,6H2,1-2H3,(H2,14,16)
InChIKeyMWQZUADGALGNCE-UHFFFAOYSA-N
MW297.45 g/mol
LogP4.14
Rot. Bonds7

About 4-ethoxy-5-N-(1-thiophen-2-ylbutyl)-1,2-thiazole-3,5-diamine

4-ethoxy-5-N-(1-thiophen-2-ylbutyl)-1,2-thiazole-3,5-diamine (PubChem CID 103360094) has the molecular formula C13H19N3OS2 and a molecular weight of 297.45 g/mol. Its IUPAC name is 4-ethoxy-5-N-(1-thiophen-2-ylbutyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-ethoxy-5-N-(1-thiophen-2-ylbutyl)-1,2-thiazole-3,5-diamine
PubChem CID103360094
Molecular FormulaC13H19N3OS2
Molecular Weight297.45 g/mol
Exact Mass297.10
IUPAC Name4-ethoxy-5-N-(1-thiophen-2-ylbutyl)-1,2-thiazole-3,5-diamine
SMILESCCCC(Nc1snc(N)c1OCC)c1cccs1
InChIInChI=1S/C13H19N3OS2/c1-3-6-9(10-7-5-8-18-10)15-13-11(17-4-2)12(14)16-19-13/h5,7-9,15H,3-4,6H2,1-2H3,(H2,14,16)
InChIKeyMWQZUADGALGNCE-UHFFFAOYSA-N
XLogP4.14
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-(1-thiophen-2-ylbutyl)pyrazine-2,3-diamine
CID 102984016
6-ethoxy-N-(1-thiophen-2-ylbutyl)pyridin-2-amine
CID 63588984
1-[3-methyl-5-(1-thiophen-2-ylbutylamino)-1,2-thiazol-4-yl]ethanone
CID 79363665
3-methyl-5-(1-thiophen-2-ylbutylamino)-1,2-thiazole-4-carboxylic acid
CID 79402140
3-ethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine
CID 65276998
2,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine
CID 80808300
3-propan-2-yl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine
CID 65276944
5-N-(2-methyl-1-thiophen-2-ylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360130
5-methyl-2-N-(1-thiophen-2-ylbutyl)pyridine-2,3-diamine
CID 66279967
2-N-methyl-4-N-(1-thiophen-2-ylbutyl)pyridine-2,4-diamine
CID 113367648
5-methyl-2-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine
CID 80986238
N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine
CID 131230047

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-N-(1-thiophen-2-ylbutyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-ethoxy-5-N-(1-thiophen-2-ylbutyl)-1,2-thiazole-3,5-diamine (CID 103360094) is 4-ethoxy-5-N-(1-thiophen-2-ylbutyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-ethoxy-5-N-(1-thiophen-2-ylbutyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-ethoxy-5-N-(1-thiophen-2-ylbutyl)-1,2-thiazole-3,5-diamine is CCCC(Nc1snc(N)c1OCC)c1cccs1.
What is the InChIKey of 4-ethoxy-5-N-(1-thiophen-2-ylbutyl)-1,2-thiazole-3,5-diamine?
The InChIKey is MWQZUADGALGNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS2/c1-3-6-9(10-7-5-8-18-10)15-13-11(17-4-2)12(14)16-19-13/h5,7-9,15H,3-4,6H2,1-2H3,(H2,14,16).
What are the key properties of 4-ethoxy-5-N-(1-thiophen-2-ylbutyl)-1,2-thiazole-3,5-diamine?
4-ethoxy-5-N-(1-thiophen-2-ylbutyl)-1,2-thiazole-3,5-diamine has a molecular weight of 297.45 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-N-(1-thiophen-2-ylbutyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).