1-(3-chlorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydroimidazol-2-amine

C13H13ClN4S — CID 104772259

IUPAC1-(3-chlorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydroimidazol-2-amine
SMILESCc1csc(C2CN=C(N)N2c2cccc(Cl)c2)n1
InChIInChI=1S/C13H13ClN4S/c1-8-7-19-12(17-8)11-6-16-13(15)18(11)10-4-2-3-9(14)5-10/h2-5,7,11H,6H2,1H3,(H2,15,16)
InChIKeyVSSKNGZPHGJDKT-UHFFFAOYSA-N
MW292.80 g/mol
LogP2.98
Rot. Bonds2

About 1-(3-chlorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydroimidazol-2-amine

1-(3-chlorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydroimidazol-2-amine (PubChem CID 104772259) has the molecular formula C13H13ClN4S and a molecular weight of 292.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydroimidazol-2-amine
PubChem CID104772259
Molecular FormulaC13H13ClN4S
Molecular Weight292.80 g/mol
Exact Mass292.05
IUPAC Name1-(3-chlorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydroimidazol-2-amine
SMILESCc1csc(C2CN=C(N)N2c2cccc(Cl)c2)n1
InChIInChI=1S/C13H13ClN4S/c1-8-7-19-12(17-8)11-6-16-13(15)18(11)10-4-2-3-9(14)5-10/h2-5,7,11H,6H2,1H3,(H2,15,16)
InChIKeyVSSKNGZPHGJDKT-UHFFFAOYSA-N
XLogP2.98
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.80
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydroimidazol-2-amine (CID 104772259) is 1-(3-chlorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydroimidazol-2-amine is Cc1csc(C2CN=C(N)N2c2cccc(Cl)c2)n1.
What is the InChIKey of 1-(3-chlorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydroimidazol-2-amine?
The InChIKey is VSSKNGZPHGJDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4S/c1-8-7-19-12(17-8)11-6-16-13(15)18(11)10-4-2-3-9(14)5-10/h2-5,7,11H,6H2,1H3,(H2,15,16).
What are the key properties of 1-(3-chlorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydroimidazol-2-amine?
1-(3-chlorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydroimidazol-2-amine has a molecular weight of 292.80 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 104772259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).