4-ethoxy-1-(1,3-thiazol-2-yl)butan-2-amine

C9H16N2OS — CID 105169291

IUPAC4-ethoxy-1-(1,3-thiazol-2-yl)butan-2-amine
SMILESCCOCCC(N)Cc1nccs1
InChIInChI=1S/C9H16N2OS/c1-2-12-5-3-8(10)7-9-11-4-6-13-9/h4,6,8H,2-3,5,7,10H2,1H3
InChIKeyBMCQKHYAKMMIOE-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.44
Rot. Bonds6

About 4-ethoxy-1-(1,3-thiazol-2-yl)butan-2-amine

4-ethoxy-1-(1,3-thiazol-2-yl)butan-2-amine (PubChem CID 105169291) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 4-ethoxy-1-(1,3-thiazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name4-ethoxy-1-(1,3-thiazol-2-yl)butan-2-amine
PubChem CID105169291
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name4-ethoxy-1-(1,3-thiazol-2-yl)butan-2-amine
SMILESCCOCCC(N)Cc1nccs1
InChIInChI=1S/C9H16N2OS/c1-2-12-5-3-8(10)7-9-11-4-6-13-9/h4,6,8H,2-3,5,7,10H2,1H3
InChIKeyBMCQKHYAKMMIOE-UHFFFAOYSA-N
XLogP1.44
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-ethoxy-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 105169241
4-(2-methoxyethoxy)-1-(1,3-thiazol-2-yl)butan-2-amine
CID 102927833
[4-propoxy-1-(1,3-thiazol-2-yl)butan-2-yl]hydrazine
CID 105324590
4-(2-amino-4-ethoxybutyl)pyridin-2-amine
CID 106815067
3-ethyl-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 105015255
4-ethoxy-1-(1-propylimidazol-2-yl)butan-2-amine
CID 105167779
4-ethoxy-1-pyridin-3-ylbutan-2-amine
CID 112688280
3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 116715056
N-ethyl-1-propoxy-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79825138
4-methoxy-1-N-(1,3-thiazol-2-ylmethyl)butane-1,2-diamine
CID 62477835
1-(1,3-thiazol-2-yl)-5-thiophen-2-ylpentan-2-amine
CID 105169170
1-cyclohexyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 105014924

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(1,3-thiazol-2-yl)butan-2-amine?
The IUPAC name of 4-ethoxy-1-(1,3-thiazol-2-yl)butan-2-amine (CID 105169291) is 4-ethoxy-1-(1,3-thiazol-2-yl)butan-2-amine.
What is the SMILES notation for 4-ethoxy-1-(1,3-thiazol-2-yl)butan-2-amine?
The canonical SMILES for 4-ethoxy-1-(1,3-thiazol-2-yl)butan-2-amine is CCOCCC(N)Cc1nccs1.
What is the InChIKey of 4-ethoxy-1-(1,3-thiazol-2-yl)butan-2-amine?
The InChIKey is BMCQKHYAKMMIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-2-12-5-3-8(10)7-9-11-4-6-13-9/h4,6,8H,2-3,5,7,10H2,1H3.
What are the key properties of 4-ethoxy-1-(1,3-thiazol-2-yl)butan-2-amine?
4-ethoxy-1-(1,3-thiazol-2-yl)butan-2-amine has a molecular weight of 200.31 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(1,3-thiazol-2-yl)butan-2-amine is sourced from PubChem (CID 105169291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).