4-[[2-(ethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one

C8H15N3OS — CID 106381769

IUPAC4-[[2-(ethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCCNCCNCc1csc(=O)[nH]1
InChIInChI=1S/C8H15N3OS/c1-2-9-3-4-10-5-7-6-13-8(12)11-7/h6,9-10H,2-5H2,1H3,(H,11,12)
InChIKeyCPGIGYDZBZHJQU-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.14
Rot. Bonds6

About 4-[[2-(ethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one

4-[[2-(ethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381769) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 4-[[2-(ethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[2-(ethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106381769
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name4-[[2-(ethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCCNCCNCc1csc(=O)[nH]1
InChIInChI=1S/C8H15N3OS/c1-2-9-3-4-10-5-7-6-13-8(12)11-7/h6,9-10H,2-5H2,1H3,(H,11,12)
InChIKeyCPGIGYDZBZHJQU-UHFFFAOYSA-N
XLogP0.14
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(ethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[2-(ethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one (CID 106381769) is 4-[[2-(ethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[2-(ethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[2-(ethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one is CCNCCNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[2-(ethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is CPGIGYDZBZHJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-2-9-3-4-10-5-7-6-13-8(12)11-7/h6,9-10H,2-5H2,1H3,(H,11,12).
What are the key properties of 4-[[2-(ethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[2-(ethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 201.29 g/mol, XLogP of 0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(ethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).