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

C12H11N3OS — CID 956917

IUPAC1-[2-(methylamino)-[1,3]thiazolo[5,4-b]indol-4-yl]ethanone
SMILESCNc1nc2c3ccccc3n(C(C)=O)c2s1
InChIInChI=1S/C12H11N3OS/c1-7(16)15-9-6-4-3-5-8(9)10-11(15)17-12(13-2)14-10/h3-6H,1-2H3,(H,13,14)
InChIKeyQVQCASZGYCRDCC-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.95
Rot. Bonds1

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

1-[2-(methylamino)-[1,3]thiazolo[5,4-b]indol-4-yl]ethanone (PubChem CID 956917) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 1-[2-(methylamino)-[1,3]thiazolo[5,4-b]indol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(methylamino)-[1,3]thiazolo[5,4-b]indol-4-yl]ethanone
PubChem CID956917
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name1-[2-(methylamino)-[1,3]thiazolo[5,4-b]indol-4-yl]ethanone
SMILESCNc1nc2c3ccccc3n(C(C)=O)c2s1
InChIInChI=1S/C12H11N3OS/c1-7(16)15-9-6-4-3-5-8(9)10-11(15)17-12(13-2)14-10/h3-6H,1-2H3,(H,13,14)
InChIKeyQVQCASZGYCRDCC-UHFFFAOYSA-N
XLogP2.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)-[1,3]thiazolo[5,4-b]indol-4-yl]ethanone?
The IUPAC name of 1-[2-(methylamino)-[1,3]thiazolo[5,4-b]indol-4-yl]ethanone (CID 956917) is 1-[2-(methylamino)-[1,3]thiazolo[5,4-b]indol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(methylamino)-[1,3]thiazolo[5,4-b]indol-4-yl]ethanone?
The canonical SMILES for 1-[2-(methylamino)-[1,3]thiazolo[5,4-b]indol-4-yl]ethanone is CNc1nc2c3ccccc3n(C(C)=O)c2s1.
What is the InChIKey of 1-[2-(methylamino)-[1,3]thiazolo[5,4-b]indol-4-yl]ethanone?
The InChIKey is QVQCASZGYCRDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c1-7(16)15-9-6-4-3-5-8(9)10-11(15)17-12(13-2)14-10/h3-6H,1-2H3,(H,13,14).
What are the key properties of 1-[2-(methylamino)-[1,3]thiazolo[5,4-b]indol-4-yl]ethanone?
1-[2-(methylamino)-[1,3]thiazolo[5,4-b]indol-4-yl]ethanone has a molecular weight of 245.31 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)-[1,3]thiazolo[5,4-b]indol-4-yl]ethanone is sourced from PubChem (CID 956917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).