N-phenyl-1-[1-(1,3-thiazol-2-yl)propyl]imidazol-2-amine

C15H16N4S — CID 106574962

IUPACN-phenyl-1-[1-(1,3-thiazol-2-yl)propyl]imidazol-2-amine
SMILESCCC(c1nccs1)n1ccnc1Nc1ccccc1
InChIInChI=1S/C15H16N4S/c1-2-13(14-16-9-11-20-14)19-10-8-17-15(19)18-12-6-4-3-5-7-12/h3-11,13H,2H2,1H3,(H,17,18)
InChIKeyOKFBXJKDUFMGHB-UHFFFAOYSA-N
MW284.39 g/mol
LogP4.08
Rot. Bonds5

About N-phenyl-1-[1-(1,3-thiazol-2-yl)propyl]imidazol-2-amine

N-phenyl-1-[1-(1,3-thiazol-2-yl)propyl]imidazol-2-amine (PubChem CID 106574962) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is N-phenyl-1-[1-(1,3-thiazol-2-yl)propyl]imidazol-2-amine.

Molecular Properties

Compound NameN-phenyl-1-[1-(1,3-thiazol-2-yl)propyl]imidazol-2-amine
PubChem CID106574962
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC NameN-phenyl-1-[1-(1,3-thiazol-2-yl)propyl]imidazol-2-amine
SMILESCCC(c1nccs1)n1ccnc1Nc1ccccc1
InChIInChI=1S/C15H16N4S/c1-2-13(14-16-9-11-20-14)19-10-8-17-15(19)18-12-6-4-3-5-7-12/h3-11,13H,2H2,1H3,(H,17,18)
InChIKeyOKFBXJKDUFMGHB-UHFFFAOYSA-N
XLogP4.08
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-[1-(1,3-thiazol-2-yl)propyl]imidazol-2-amine?
The IUPAC name of N-phenyl-1-[1-(1,3-thiazol-2-yl)propyl]imidazol-2-amine (CID 106574962) is N-phenyl-1-[1-(1,3-thiazol-2-yl)propyl]imidazol-2-amine.
What is the SMILES notation for N-phenyl-1-[1-(1,3-thiazol-2-yl)propyl]imidazol-2-amine?
The canonical SMILES for N-phenyl-1-[1-(1,3-thiazol-2-yl)propyl]imidazol-2-amine is CCC(c1nccs1)n1ccnc1Nc1ccccc1.
What is the InChIKey of N-phenyl-1-[1-(1,3-thiazol-2-yl)propyl]imidazol-2-amine?
The InChIKey is OKFBXJKDUFMGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-2-13(14-16-9-11-20-14)19-10-8-17-15(19)18-12-6-4-3-5-7-12/h3-11,13H,2H2,1H3,(H,17,18).
What are the key properties of N-phenyl-1-[1-(1,3-thiazol-2-yl)propyl]imidazol-2-amine?
N-phenyl-1-[1-(1,3-thiazol-2-yl)propyl]imidazol-2-amine has a molecular weight of 284.39 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-[1-(1,3-thiazol-2-yl)propyl]imidazol-2-amine is sourced from PubChem (CID 106574962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).