4-(2-amino-1,3-thiazol-5-yl)-5-(2-methoxyphenyl)-1,3-thiazol-2-amine

C13H12N4OS2 — CID 89235839

IUPAC4-(2-amino-1,3-thiazol-5-yl)-5-(2-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccccc1-c1sc(N)nc1-c1cnc(N)s1
InChIInChI=1S/C13H12N4OS2/c1-18-8-5-3-2-4-7(8)11-10(17-13(15)20-11)9-6-16-12(14)19-9/h2-6H,1H3,(H2,14,16)(H2,15,17)
InChIKeyDOCBYAUNPJEXBC-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.11
Rot. Bonds3

About 4-(2-amino-1,3-thiazol-5-yl)-5-(2-methoxyphenyl)-1,3-thiazol-2-amine

4-(2-amino-1,3-thiazol-5-yl)-5-(2-methoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 89235839) has the molecular formula C13H12N4OS2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 4-(2-amino-1,3-thiazol-5-yl)-5-(2-methoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-amino-1,3-thiazol-5-yl)-5-(2-methoxyphenyl)-1,3-thiazol-2-amine
PubChem CID89235839
Molecular FormulaC13H12N4OS2
Molecular Weight304.40 g/mol
Exact Mass304.05
IUPAC Name4-(2-amino-1,3-thiazol-5-yl)-5-(2-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccccc1-c1sc(N)nc1-c1cnc(N)s1
InChIInChI=1S/C13H12N4OS2/c1-18-8-5-3-2-4-7(8)11-10(17-13(15)20-11)9-6-16-12(14)19-9/h2-6H,1H3,(H2,14,16)(H2,15,17)
InChIKeyDOCBYAUNPJEXBC-UHFFFAOYSA-N
XLogP3.11
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazole_amine_A(4)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1,3-thiazol-5-yl)-5-(2-methoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-amino-1,3-thiazol-5-yl)-5-(2-methoxyphenyl)-1,3-thiazol-2-amine (CID 89235839) is 4-(2-amino-1,3-thiazol-5-yl)-5-(2-methoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-amino-1,3-thiazol-5-yl)-5-(2-methoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-amino-1,3-thiazol-5-yl)-5-(2-methoxyphenyl)-1,3-thiazol-2-amine is COc1ccccc1-c1sc(N)nc1-c1cnc(N)s1.
What is the InChIKey of 4-(2-amino-1,3-thiazol-5-yl)-5-(2-methoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is DOCBYAUNPJEXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS2/c1-18-8-5-3-2-4-7(8)11-10(17-13(15)20-11)9-6-16-12(14)19-9/h2-6H,1H3,(H2,14,16)(H2,15,17).
What are the key properties of 4-(2-amino-1,3-thiazol-5-yl)-5-(2-methoxyphenyl)-1,3-thiazol-2-amine?
4-(2-amino-1,3-thiazol-5-yl)-5-(2-methoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 304.40 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1,3-thiazol-5-yl)-5-(2-methoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 89235839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).