1-(2-methoxyethyl)-N-(1,3-thiazol-4-ylmethyl)imidazol-2-amine

C10H14N4OS — CID 106572554

IUPAC1-(2-methoxyethyl)-N-(1,3-thiazol-4-ylmethyl)imidazol-2-amine
SMILESCOCCn1ccnc1NCc1cscn1
InChIInChI=1S/C10H14N4OS/c1-15-5-4-14-3-2-11-10(14)12-6-9-7-16-8-13-9/h2-3,7-8H,4-6H2,1H3,(H,11,12)
InChIKeyUHSSDPHYJPNYPM-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.60
Rot. Bonds6

About 1-(2-methoxyethyl)-N-(1,3-thiazol-4-ylmethyl)imidazol-2-amine

1-(2-methoxyethyl)-N-(1,3-thiazol-4-ylmethyl)imidazol-2-amine (PubChem CID 106572554) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-(1,3-thiazol-4-ylmethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-(1,3-thiazol-4-ylmethyl)imidazol-2-amine
PubChem CID106572554
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name1-(2-methoxyethyl)-N-(1,3-thiazol-4-ylmethyl)imidazol-2-amine
SMILESCOCCn1ccnc1NCc1cscn1
InChIInChI=1S/C10H14N4OS/c1-15-5-4-14-3-2-11-10(14)12-6-9-7-16-8-13-9/h2-3,7-8H,4-6H2,1H3,(H,11,12)
InChIKeyUHSSDPHYJPNYPM-UHFFFAOYSA-N
XLogP1.60
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-(1,3-thiazol-4-ylmethyl)imidazol-2-amine?
The IUPAC name of 1-(2-methoxyethyl)-N-(1,3-thiazol-4-ylmethyl)imidazol-2-amine (CID 106572554) is 1-(2-methoxyethyl)-N-(1,3-thiazol-4-ylmethyl)imidazol-2-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-N-(1,3-thiazol-4-ylmethyl)imidazol-2-amine?
The canonical SMILES for 1-(2-methoxyethyl)-N-(1,3-thiazol-4-ylmethyl)imidazol-2-amine is COCCn1ccnc1NCc1cscn1.
What is the InChIKey of 1-(2-methoxyethyl)-N-(1,3-thiazol-4-ylmethyl)imidazol-2-amine?
The InChIKey is UHSSDPHYJPNYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-15-5-4-14-3-2-11-10(14)12-6-9-7-16-8-13-9/h2-3,7-8H,4-6H2,1H3,(H,11,12).
What are the key properties of 1-(2-methoxyethyl)-N-(1,3-thiazol-4-ylmethyl)imidazol-2-amine?
1-(2-methoxyethyl)-N-(1,3-thiazol-4-ylmethyl)imidazol-2-amine has a molecular weight of 238.32 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-(1,3-thiazol-4-ylmethyl)imidazol-2-amine is sourced from PubChem (CID 106572554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).