1-(3-ethoxypropyl)-4-methyl-N-(1,3-thiazol-5-ylmethyl)imidazol-2-amine

C13H20N4OS — CID 106582463

IUPAC1-(3-ethoxypropyl)-4-methyl-N-(1,3-thiazol-5-ylmethyl)imidazol-2-amine
SMILESCCOCCCn1cc(C)nc1NCc1cncs1
InChIInChI=1S/C13H20N4OS/c1-3-18-6-4-5-17-9-11(2)16-13(17)15-8-12-7-14-10-19-12/h7,9-10H,3-6,8H2,1-2H3,(H,15,16)
InChIKeyKMDDIEKQCZSRNX-UHFFFAOYSA-N
MW280.40 g/mol
LogP2.69
Rot. Bonds8

About 1-(3-ethoxypropyl)-4-methyl-N-(1,3-thiazol-5-ylmethyl)imidazol-2-amine

1-(3-ethoxypropyl)-4-methyl-N-(1,3-thiazol-5-ylmethyl)imidazol-2-amine (PubChem CID 106582463) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-4-methyl-N-(1,3-thiazol-5-ylmethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-4-methyl-N-(1,3-thiazol-5-ylmethyl)imidazol-2-amine
PubChem CID106582463
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name1-(3-ethoxypropyl)-4-methyl-N-(1,3-thiazol-5-ylmethyl)imidazol-2-amine
SMILESCCOCCCn1cc(C)nc1NCc1cncs1
InChIInChI=1S/C13H20N4OS/c1-3-18-6-4-5-17-9-11(2)16-13(17)15-8-12-7-14-10-19-12/h7,9-10H,3-6,8H2,1-2H3,(H,15,16)
InChIKeyKMDDIEKQCZSRNX-UHFFFAOYSA-N
XLogP2.69
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 1-(3-ethoxypropyl)-4-methyl-N-(1,3-thiazol-5-ylmethyl)imidazol-2-amine?
The IUPAC name of 1-(3-ethoxypropyl)-4-methyl-N-(1,3-thiazol-5-ylmethyl)imidazol-2-amine (CID 106582463) is 1-(3-ethoxypropyl)-4-methyl-N-(1,3-thiazol-5-ylmethyl)imidazol-2-amine.
What is the SMILES notation for 1-(3-ethoxypropyl)-4-methyl-N-(1,3-thiazol-5-ylmethyl)imidazol-2-amine?
The canonical SMILES for 1-(3-ethoxypropyl)-4-methyl-N-(1,3-thiazol-5-ylmethyl)imidazol-2-amine is CCOCCCn1cc(C)nc1NCc1cncs1.
What is the InChIKey of 1-(3-ethoxypropyl)-4-methyl-N-(1,3-thiazol-5-ylmethyl)imidazol-2-amine?
The InChIKey is KMDDIEKQCZSRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-3-18-6-4-5-17-9-11(2)16-13(17)15-8-12-7-14-10-19-12/h7,9-10H,3-6,8H2,1-2H3,(H,15,16).
What are the key properties of 1-(3-ethoxypropyl)-4-methyl-N-(1,3-thiazol-5-ylmethyl)imidazol-2-amine?
1-(3-ethoxypropyl)-4-methyl-N-(1,3-thiazol-5-ylmethyl)imidazol-2-amine has a molecular weight of 280.40 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-4-methyl-N-(1,3-thiazol-5-ylmethyl)imidazol-2-amine is sourced from PubChem (CID 106582463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).