4-[(E)-2-(6-propan-2-yl-2-pyridinyl)ethenyl]-1,3-thiazol-2-amine

C13H15N3S — CID 169049370

IUPAC4-[(E)-2-(6-propan-2-yl-2-pyridinyl)ethenyl]-1,3-thiazol-2-amine
SMILESCC(C)c1cccc(/C=C/c2csc(N)n2)n1
InChIInChI=1S/C13H15N3S/c1-9(2)12-5-3-4-10(15-12)6-7-11-8-17-13(14)16-11/h3-9H,1-2H3,(H2,14,16)/b7-6+
InChIKeyLFDKJPVMLNDHDB-VOTSOKGWSA-N
MW245.35 g/mol
LogP3.41
Rot. Bonds3

About 4-[(E)-2-(6-propan-2-yl-2-pyridinyl)ethenyl]-1,3-thiazol-2-amine

4-[(E)-2-(6-propan-2-yl-2-pyridinyl)ethenyl]-1,3-thiazol-2-amine (PubChem CID 169049370) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 4-[(E)-2-(6-propan-2-yl-2-pyridinyl)ethenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(E)-2-(6-propan-2-yl-2-pyridinyl)ethenyl]-1,3-thiazol-2-amine
PubChem CID169049370
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name4-[(E)-2-(6-propan-2-yl-2-pyridinyl)ethenyl]-1,3-thiazol-2-amine
SMILESCC(C)c1cccc(/C=C/c2csc(N)n2)n1
InChIInChI=1S/C13H15N3S/c1-9(2)12-5-3-4-10(15-12)6-7-11-8-17-13(14)16-11/h3-9H,1-2H3,(H2,14,16)/b7-6+
InChIKeyLFDKJPVMLNDHDB-VOTSOKGWSA-N
XLogP3.41
TPSA51.80 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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(6-propan-2-yl-2-pyridinyl)ethenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(E)-2-(6-propan-2-yl-2-pyridinyl)ethenyl]-1,3-thiazol-2-amine (CID 169049370) is 4-[(E)-2-(6-propan-2-yl-2-pyridinyl)ethenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(E)-2-(6-propan-2-yl-2-pyridinyl)ethenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(E)-2-(6-propan-2-yl-2-pyridinyl)ethenyl]-1,3-thiazol-2-amine is CC(C)c1cccc(/C=C/c2csc(N)n2)n1.
What is the InChIKey of 4-[(E)-2-(6-propan-2-yl-2-pyridinyl)ethenyl]-1,3-thiazol-2-amine?
The InChIKey is LFDKJPVMLNDHDB-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H15N3S/c1-9(2)12-5-3-4-10(15-12)6-7-11-8-17-13(14)16-11/h3-9H,1-2H3,(H2,14,16)/b7-6+.
What are the key properties of 4-[(E)-2-(6-propan-2-yl-2-pyridinyl)ethenyl]-1,3-thiazol-2-amine?
4-[(E)-2-(6-propan-2-yl-2-pyridinyl)ethenyl]-1,3-thiazol-2-amine has a molecular weight of 245.35 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(6-propan-2-yl-2-pyridinyl)ethenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 169049370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).