4-(2-ethoxyethyl)-1,3-thiazol-2-amine

C7H12N2OS — CID 56612135

IUPAC4-(2-ethoxyethyl)-1,3-thiazol-2-amine
SMILESCCOCCc1csc(N)n1
InChIInChI=1S/C7H12N2OS/c1-2-10-4-3-6-5-11-7(8)9-6/h5H,2-4H2,1H3,(H2,8,9)
InChIKeyBWHUCJBWMBILSX-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.30
Rot. Bonds4

About 4-(2-ethoxyethyl)-1,3-thiazol-2-amine

4-(2-ethoxyethyl)-1,3-thiazol-2-amine (PubChem CID 56612135) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 4-(2-ethoxyethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-ethoxyethyl)-1,3-thiazol-2-amine
PubChem CID56612135
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name4-(2-ethoxyethyl)-1,3-thiazol-2-amine
SMILESCCOCCc1csc(N)n1
InChIInChI=1S/C7H12N2OS/c1-2-10-4-3-6-5-11-7(8)9-6/h5H,2-4H2,1H3,(H2,8,9)
InChIKeyBWHUCJBWMBILSX-UHFFFAOYSA-N
XLogP1.30
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.30
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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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-ethoxyethyl)-1,3-thiazol-2-amine (CID 56612135) is 4-(2-ethoxyethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-ethoxyethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-ethoxyethyl)-1,3-thiazol-2-amine is CCOCCc1csc(N)n1.
What is the InChIKey of 4-(2-ethoxyethyl)-1,3-thiazol-2-amine?
The InChIKey is BWHUCJBWMBILSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-2-10-4-3-6-5-11-7(8)9-6/h5H,2-4H2,1H3,(H2,8,9).
What are the key properties of 4-(2-ethoxyethyl)-1,3-thiazol-2-amine?
4-(2-ethoxyethyl)-1,3-thiazol-2-amine has a molecular weight of 172.25 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 56612135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).