5-(5-chloro-1,3-thiazol-2-yl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine

C10H15ClN4S — CID 107126020

IUPAC5-(5-chloro-1,3-thiazol-2-yl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
SMILESCC(C)CN1C(N)=NCC1c1ncc(Cl)s1
InChIInChI=1S/C10H15ClN4S/c1-6(2)5-15-7(3-14-10(15)12)9-13-4-8(11)16-9/h4,6-7H,3,5H2,1-2H3,(H2,12,14)
InChIKeyQHADRVOFXPMSTJ-UHFFFAOYSA-N
MW258.78 g/mol
LogP2.12
Rot. Bonds3

About 5-(5-chloro-1,3-thiazol-2-yl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine

5-(5-chloro-1,3-thiazol-2-yl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine (PubChem CID 107126020) has the molecular formula C10H15ClN4S and a molecular weight of 258.78 g/mol. Its IUPAC name is 5-(5-chloro-1,3-thiazol-2-yl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(5-chloro-1,3-thiazol-2-yl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
PubChem CID107126020
Molecular FormulaC10H15ClN4S
Molecular Weight258.78 g/mol
Exact Mass258.07
IUPAC Name5-(5-chloro-1,3-thiazol-2-yl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
SMILESCC(C)CN1C(N)=NCC1c1ncc(Cl)s1
InChIInChI=1S/C10H15ClN4S/c1-6(2)5-15-7(3-14-10(15)12)9-13-4-8(11)16-9/h4,6-7H,3,5H2,1-2H3,(H2,12,14)
InChIKeyQHADRVOFXPMSTJ-UHFFFAOYSA-N
XLogP2.12
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.78
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-1,3-thiazol-2-yl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(5-chloro-1,3-thiazol-2-yl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine (CID 107126020) is 5-(5-chloro-1,3-thiazol-2-yl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(5-chloro-1,3-thiazol-2-yl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(5-chloro-1,3-thiazol-2-yl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine is CC(C)CN1C(N)=NCC1c1ncc(Cl)s1.
What is the InChIKey of 5-(5-chloro-1,3-thiazol-2-yl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is QHADRVOFXPMSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4S/c1-6(2)5-15-7(3-14-10(15)12)9-13-4-8(11)16-9/h4,6-7H,3,5H2,1-2H3,(H2,12,14).
What are the key properties of 5-(5-chloro-1,3-thiazol-2-yl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine?
5-(5-chloro-1,3-thiazol-2-yl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 258.78 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-1,3-thiazol-2-yl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 107126020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).