[4-amino-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-pyridin-4-ylmethanone

C12H12N4OS — CID 71662061

IUPAC[4-amino-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-pyridin-4-ylmethanone
SMILESC=CCNc1nc(N)c(C(=O)c2ccncc2)s1
InChIInChI=1S/C12H12N4OS/c1-2-5-15-12-16-11(13)10(18-12)9(17)8-3-6-14-7-4-8/h2-4,6-7H,1,5,13H2,(H,15,16)
InChIKeyJYLDWTJXERPEGH-UHFFFAOYSA-N
MW260.32 g/mol
LogP1.95
Rot. Bonds5

About [4-amino-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-pyridin-4-ylmethanone

[4-amino-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-pyridin-4-ylmethanone (PubChem CID 71662061) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is [4-amino-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-amino-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-pyridin-4-ylmethanone
PubChem CID71662061
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name[4-amino-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-pyridin-4-ylmethanone
SMILESC=CCNc1nc(N)c(C(=O)c2ccncc2)s1
InChIInChI=1S/C12H12N4OS/c1-2-5-15-12-16-11(13)10(18-12)9(17)8-3-6-14-7-4-8/h2-4,6-7H,1,5,13H2,(H,15,16)
InChIKeyJYLDWTJXERPEGH-UHFFFAOYSA-N
XLogP1.95
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-amino-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-pyridin-4-ylmethanone (CID 71662061) is [4-amino-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-amino-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-amino-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-pyridin-4-ylmethanone is C=CCNc1nc(N)c(C(=O)c2ccncc2)s1.
What is the InChIKey of [4-amino-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-pyridin-4-ylmethanone?
The InChIKey is JYLDWTJXERPEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c1-2-5-15-12-16-11(13)10(18-12)9(17)8-3-6-14-7-4-8/h2-4,6-7H,1,5,13H2,(H,15,16).
What are the key properties of [4-amino-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-pyridin-4-ylmethanone?
[4-amino-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-pyridin-4-ylmethanone has a molecular weight of 260.32 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 71662061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).