1-[2-(prop-2-enylamino)-[1,3]thiazolo[5,4-b]indol-4-yl]ethanone

C14H13N3OS — CID 658073

IUPAC1-[2-(prop-2-enylamino)-[1,3]thiazolo[5,4-b]indol-4-yl]ethanone
SMILESC=CCNc1nc2c3ccccc3n(C(C)=O)c2s1
InChIInChI=1S/C14H13N3OS/c1-3-8-15-14-16-12-10-6-4-5-7-11(10)17(9(2)18)13(12)19-14/h3-7H,1,8H2,2H3,(H,15,16)
InChIKeyCJPAZMFNJCZKDG-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.51
Rot. Bonds3

About 1-[2-(prop-2-enylamino)-[1,3]thiazolo[5,4-b]indol-4-yl]ethanone

1-[2-(prop-2-enylamino)-[1,3]thiazolo[5,4-b]indol-4-yl]ethanone (PubChem CID 658073) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 1-[2-(prop-2-enylamino)-[1,3]thiazolo[5,4-b]indol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(prop-2-enylamino)-[1,3]thiazolo[5,4-b]indol-4-yl]ethanone
PubChem CID658073
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name1-[2-(prop-2-enylamino)-[1,3]thiazolo[5,4-b]indol-4-yl]ethanone
SMILESC=CCNc1nc2c3ccccc3n(C(C)=O)c2s1
InChIInChI=1S/C14H13N3OS/c1-3-8-15-14-16-12-10-6-4-5-7-11(10)17(9(2)18)13(12)19-14/h3-7H,1,8H2,2H3,(H,15,16)
InChIKeyCJPAZMFNJCZKDG-UHFFFAOYSA-N
XLogP3.51
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1-[2-(prop-2-enylamino)-[1,3]thiazolo[5,4-b]indol-4-yl]ethanone?
The IUPAC name of 1-[2-(prop-2-enylamino)-[1,3]thiazolo[5,4-b]indol-4-yl]ethanone (CID 658073) is 1-[2-(prop-2-enylamino)-[1,3]thiazolo[5,4-b]indol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(prop-2-enylamino)-[1,3]thiazolo[5,4-b]indol-4-yl]ethanone?
The canonical SMILES for 1-[2-(prop-2-enylamino)-[1,3]thiazolo[5,4-b]indol-4-yl]ethanone is C=CCNc1nc2c3ccccc3n(C(C)=O)c2s1.
What is the InChIKey of 1-[2-(prop-2-enylamino)-[1,3]thiazolo[5,4-b]indol-4-yl]ethanone?
The InChIKey is CJPAZMFNJCZKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-3-8-15-14-16-12-10-6-4-5-7-11(10)17(9(2)18)13(12)19-14/h3-7H,1,8H2,2H3,(H,15,16).
What are the key properties of 1-[2-(prop-2-enylamino)-[1,3]thiazolo[5,4-b]indol-4-yl]ethanone?
1-[2-(prop-2-enylamino)-[1,3]thiazolo[5,4-b]indol-4-yl]ethanone has a molecular weight of 271.35 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(prop-2-enylamino)-[1,3]thiazolo[5,4-b]indol-4-yl]ethanone is sourced from PubChem (CID 658073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).