4-[2-[4-(dimethylamino)phenyl]ethenyl]-1,3-thiazol-2-amine

C13H15N3S — CID 164769574

IUPAC4-[2-[4-(dimethylamino)phenyl]ethenyl]-1,3-thiazol-2-amine
SMILESCN(C)c1ccc(C=Cc2csc(N)n2)cc1
InChIInChI=1S/C13H15N3S/c1-16(2)12-7-4-10(5-8-12)3-6-11-9-17-13(14)15-11/h3-9H,1-2H3,(H2,14,15)
InChIKeyRLGJLLISBFQVQV-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.96
Rot. Bonds3

About 4-[2-[4-(dimethylamino)phenyl]ethenyl]-1,3-thiazol-2-amine

4-[2-[4-(dimethylamino)phenyl]ethenyl]-1,3-thiazol-2-amine (PubChem CID 164769574) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 4-[2-[4-(dimethylamino)phenyl]ethenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-[4-(dimethylamino)phenyl]ethenyl]-1,3-thiazol-2-amine
PubChem CID164769574
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name4-[2-[4-(dimethylamino)phenyl]ethenyl]-1,3-thiazol-2-amine
SMILESCN(C)c1ccc(C=Cc2csc(N)n2)cc1
InChIInChI=1S/C13H15N3S/c1-16(2)12-7-4-10(5-8-12)3-6-11-9-17-13(14)15-11/h3-9H,1-2H3,(H2,14,15)
InChIKeyRLGJLLISBFQVQV-UHFFFAOYSA-N
XLogP2.96
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(dimethylamino)phenyl]ethenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-[4-(dimethylamino)phenyl]ethenyl]-1,3-thiazol-2-amine (CID 164769574) is 4-[2-[4-(dimethylamino)phenyl]ethenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-[4-(dimethylamino)phenyl]ethenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-[4-(dimethylamino)phenyl]ethenyl]-1,3-thiazol-2-amine is CN(C)c1ccc(C=Cc2csc(N)n2)cc1.
What is the InChIKey of 4-[2-[4-(dimethylamino)phenyl]ethenyl]-1,3-thiazol-2-amine?
The InChIKey is RLGJLLISBFQVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-16(2)12-7-4-10(5-8-12)3-6-11-9-17-13(14)15-11/h3-9H,1-2H3,(H2,14,15).
What are the key properties of 4-[2-[4-(dimethylamino)phenyl]ethenyl]-1,3-thiazol-2-amine?
4-[2-[4-(dimethylamino)phenyl]ethenyl]-1,3-thiazol-2-amine has a molecular weight of 245.35 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(dimethylamino)phenyl]ethenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 164769574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).