5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-imidazol-4-amine

C13H12N4OS — CID 1497191

IUPAC5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-imidazol-4-amine
SMILESCOc1ccc(-c2csc(-c3[nH]cnc3N)n2)cc1
InChIInChI=1S/C13H12N4OS/c1-18-9-4-2-8(3-5-9)10-6-19-13(17-10)11-12(14)16-7-15-11/h2-7H,14H2,1H3,(H,15,16)
InChIKeyBMAZGPFUYPMOHV-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.79
Rot. Bonds3

About 5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-imidazol-4-amine

5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-imidazol-4-amine (PubChem CID 1497191) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-imidazol-4-amine.

Molecular Properties

Compound Name5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-imidazol-4-amine
PubChem CID1497191
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-imidazol-4-amine
SMILESCOc1ccc(-c2csc(-c3[nH]cnc3N)n2)cc1
InChIInChI=1S/C13H12N4OS/c1-18-9-4-2-8(3-5-9)10-6-19-13(17-10)11-12(14)16-7-15-11/h2-7H,14H2,1H3,(H,15,16)
InChIKeyBMAZGPFUYPMOHV-UHFFFAOYSA-N
XLogP2.79
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-imidazol-4-amine?
The IUPAC name of 5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-imidazol-4-amine (CID 1497191) is 5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-imidazol-4-amine.
What is the SMILES notation for 5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-imidazol-4-amine?
The canonical SMILES for 5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-imidazol-4-amine is COc1ccc(-c2csc(-c3[nH]cnc3N)n2)cc1.
What is the InChIKey of 5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-imidazol-4-amine?
The InChIKey is BMAZGPFUYPMOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-18-9-4-2-8(3-5-9)10-6-19-13(17-10)11-12(14)16-7-15-11/h2-7H,14H2,1H3,(H,15,16).
What are the key properties of 5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-imidazol-4-amine?
5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-imidazol-4-amine has a molecular weight of 272.33 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-imidazol-4-amine is sourced from PubChem (CID 1497191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).