1-(4-methoxyphenyl)-5-(thiolan-3-yl)-4,5-dihydroimidazol-2-amine

C14H19N3OS — CID 107133895

IUPAC1-(4-methoxyphenyl)-5-(thiolan-3-yl)-4,5-dihydroimidazol-2-amine
SMILESCOc1ccc(N2C(N)=NCC2C2CCSC2)cc1
InChIInChI=1S/C14H19N3OS/c1-18-12-4-2-11(3-5-12)17-13(8-16-14(17)15)10-6-7-19-9-10/h2-5,10,13H,6-9H2,1H3,(H2,15,16)
InChIKeyCDTYWNCKURJFLV-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.95
Rot. Bonds3

About 1-(4-methoxyphenyl)-5-(thiolan-3-yl)-4,5-dihydroimidazol-2-amine

1-(4-methoxyphenyl)-5-(thiolan-3-yl)-4,5-dihydroimidazol-2-amine (PubChem CID 107133895) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-(thiolan-3-yl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-(thiolan-3-yl)-4,5-dihydroimidazol-2-amine
PubChem CID107133895
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name1-(4-methoxyphenyl)-5-(thiolan-3-yl)-4,5-dihydroimidazol-2-amine
SMILESCOc1ccc(N2C(N)=NCC2C2CCSC2)cc1
InChIInChI=1S/C14H19N3OS/c1-18-12-4-2-11(3-5-12)17-13(8-16-14(17)15)10-6-7-19-9-10/h2-5,10,13H,6-9H2,1H3,(H2,15,16)
InChIKeyCDTYWNCKURJFLV-UHFFFAOYSA-N
XLogP1.95
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-(thiolan-3-yl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(4-methoxyphenyl)-5-(thiolan-3-yl)-4,5-dihydroimidazol-2-amine (CID 107133895) is 1-(4-methoxyphenyl)-5-(thiolan-3-yl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-(thiolan-3-yl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-5-(thiolan-3-yl)-4,5-dihydroimidazol-2-amine is COc1ccc(N2C(N)=NCC2C2CCSC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-(thiolan-3-yl)-4,5-dihydroimidazol-2-amine?
The InChIKey is CDTYWNCKURJFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-18-12-4-2-11(3-5-12)17-13(8-16-14(17)15)10-6-7-19-9-10/h2-5,10,13H,6-9H2,1H3,(H2,15,16).
What are the key properties of 1-(4-methoxyphenyl)-5-(thiolan-3-yl)-4,5-dihydroimidazol-2-amine?
1-(4-methoxyphenyl)-5-(thiolan-3-yl)-4,5-dihydroimidazol-2-amine has a molecular weight of 277.39 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-(thiolan-3-yl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 107133895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).