4-[(E)-2-(1-methylimidazol-4-yl)ethenyl]-1,3-thiazol-2-amine

C9H10N4S — CID 169049379

IUPAC4-[(E)-2-(1-methylimidazol-4-yl)ethenyl]-1,3-thiazol-2-amine
SMILESCn1cnc(/C=C/c2csc(N)n2)c1
InChIInChI=1S/C9H10N4S/c1-13-4-7(11-6-13)2-3-8-5-14-9(10)12-8/h2-6H,1H3,(H2,10,12)/b3-2+
InChIKeyUGBIHVASBSVXEU-NSCUHMNNSA-N
MW206.27 g/mol
LogP1.63
Rot. Bonds2

About 4-[(E)-2-(1-methylimidazol-4-yl)ethenyl]-1,3-thiazol-2-amine

4-[(E)-2-(1-methylimidazol-4-yl)ethenyl]-1,3-thiazol-2-amine (PubChem CID 169049379) has the molecular formula C9H10N4S and a molecular weight of 206.27 g/mol. Its IUPAC name is 4-[(E)-2-(1-methylimidazol-4-yl)ethenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(E)-2-(1-methylimidazol-4-yl)ethenyl]-1,3-thiazol-2-amine
PubChem CID169049379
Molecular FormulaC9H10N4S
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC Name4-[(E)-2-(1-methylimidazol-4-yl)ethenyl]-1,3-thiazol-2-amine
SMILESCn1cnc(/C=C/c2csc(N)n2)c1
InChIInChI=1S/C9H10N4S/c1-13-4-7(11-6-13)2-3-8-5-14-9(10)12-8/h2-6H,1H3,(H2,10,12)/b3-2+
InChIKeyUGBIHVASBSVXEU-NSCUHMNNSA-N
XLogP1.63
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(1-methylimidazol-4-yl)ethenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(E)-2-(1-methylimidazol-4-yl)ethenyl]-1,3-thiazol-2-amine (CID 169049379) is 4-[(E)-2-(1-methylimidazol-4-yl)ethenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(E)-2-(1-methylimidazol-4-yl)ethenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(E)-2-(1-methylimidazol-4-yl)ethenyl]-1,3-thiazol-2-amine is Cn1cnc(/C=C/c2csc(N)n2)c1.
What is the InChIKey of 4-[(E)-2-(1-methylimidazol-4-yl)ethenyl]-1,3-thiazol-2-amine?
The InChIKey is UGBIHVASBSVXEU-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H10N4S/c1-13-4-7(11-6-13)2-3-8-5-14-9(10)12-8/h2-6H,1H3,(H2,10,12)/b3-2+.
What are the key properties of 4-[(E)-2-(1-methylimidazol-4-yl)ethenyl]-1,3-thiazol-2-amine?
4-[(E)-2-(1-methylimidazol-4-yl)ethenyl]-1,3-thiazol-2-amine has a molecular weight of 206.27 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(1-methylimidazol-4-yl)ethenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 169049379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).