5-amino-4-(5-ethylthiophen-2-yl)-3-methyl-4H-imidazol-2-one

C10H13N3OS — CID 79960126

IUPAC5-amino-4-(5-ethylthiophen-2-yl)-3-methyl-4H-imidazol-2-one
SMILESCCc1ccc(C2C(N)=NC(=O)N2C)s1
InChIInChI=1S/C10H13N3OS/c1-3-6-4-5-7(15-6)8-9(11)12-10(14)13(8)2/h4-5,8H,3H2,1-2H3,(H2,11,12,14)
InChIKeyPPXWOLGUFQHCCQ-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.77
Rot. Bonds2

About 5-amino-4-(5-ethylthiophen-2-yl)-3-methyl-4H-imidazol-2-one

5-amino-4-(5-ethylthiophen-2-yl)-3-methyl-4H-imidazol-2-one (PubChem CID 79960126) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 5-amino-4-(5-ethylthiophen-2-yl)-3-methyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(5-ethylthiophen-2-yl)-3-methyl-4H-imidazol-2-one
PubChem CID79960126
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name5-amino-4-(5-ethylthiophen-2-yl)-3-methyl-4H-imidazol-2-one
SMILESCCc1ccc(C2C(N)=NC(=O)N2C)s1
InChIInChI=1S/C10H13N3OS/c1-3-6-4-5-7(15-6)8-9(11)12-10(14)13(8)2/h4-5,8H,3H2,1-2H3,(H2,11,12,14)
InChIKeyPPXWOLGUFQHCCQ-UHFFFAOYSA-N
XLogP1.77
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(5-ethylthiophen-2-yl)-3-methyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(5-ethylthiophen-2-yl)-3-methyl-4H-imidazol-2-one (CID 79960126) is 5-amino-4-(5-ethylthiophen-2-yl)-3-methyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(5-ethylthiophen-2-yl)-3-methyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(5-ethylthiophen-2-yl)-3-methyl-4H-imidazol-2-one is CCc1ccc(C2C(N)=NC(=O)N2C)s1.
What is the InChIKey of 5-amino-4-(5-ethylthiophen-2-yl)-3-methyl-4H-imidazol-2-one?
The InChIKey is PPXWOLGUFQHCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-3-6-4-5-7(15-6)8-9(11)12-10(14)13(8)2/h4-5,8H,3H2,1-2H3,(H2,11,12,14).
What are the key properties of 5-amino-4-(5-ethylthiophen-2-yl)-3-methyl-4H-imidazol-2-one?
5-amino-4-(5-ethylthiophen-2-yl)-3-methyl-4H-imidazol-2-one has a molecular weight of 223.30 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(5-ethylthiophen-2-yl)-3-methyl-4H-imidazol-2-one is sourced from PubChem (CID 79960126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).