4-[(E)-2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)ethenyl]-1,3-thiazol-2-amine

C11H12N4S — CID 169049373

IUPAC4-[(E)-2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)ethenyl]-1,3-thiazol-2-amine
SMILESNc1nc(/C=C/c2cn3c(n2)CCC3)cs1
InChIInChI=1S/C11H12N4S/c12-11-14-9(7-16-11)4-3-8-6-15-5-1-2-10(15)13-8/h3-4,6-7H,1-2,5H2,(H2,12,14)/b4-3+
InChIKeySBCWJNXNJBFWNY-ONEGZZNKSA-N
MW232.31 g/mol
LogP2.04
Rot. Bonds2

About 4-[(E)-2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)ethenyl]-1,3-thiazol-2-amine

4-[(E)-2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)ethenyl]-1,3-thiazol-2-amine (PubChem CID 169049373) has the molecular formula C11H12N4S and a molecular weight of 232.31 g/mol. Its IUPAC name is 4-[(E)-2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)ethenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(E)-2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)ethenyl]-1,3-thiazol-2-amine
PubChem CID169049373
Molecular FormulaC11H12N4S
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC Name4-[(E)-2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)ethenyl]-1,3-thiazol-2-amine
SMILESNc1nc(/C=C/c2cn3c(n2)CCC3)cs1
InChIInChI=1S/C11H12N4S/c12-11-14-9(7-16-11)4-3-8-6-15-5-1-2-10(15)13-8/h3-4,6-7H,1-2,5H2,(H2,12,14)/b4-3+
InChIKeySBCWJNXNJBFWNY-ONEGZZNKSA-N
XLogP2.04
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)ethenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(E)-2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)ethenyl]-1,3-thiazol-2-amine (CID 169049373) is 4-[(E)-2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)ethenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(E)-2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)ethenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(E)-2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)ethenyl]-1,3-thiazol-2-amine is Nc1nc(/C=C/c2cn3c(n2)CCC3)cs1.
What is the InChIKey of 4-[(E)-2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)ethenyl]-1,3-thiazol-2-amine?
The InChIKey is SBCWJNXNJBFWNY-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H12N4S/c12-11-14-9(7-16-11)4-3-8-6-15-5-1-2-10(15)13-8/h3-4,6-7H,1-2,5H2,(H2,12,14)/b4-3+.
What are the key properties of 4-[(E)-2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)ethenyl]-1,3-thiazol-2-amine?
4-[(E)-2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)ethenyl]-1,3-thiazol-2-amine has a molecular weight of 232.31 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)ethenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 169049373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).