[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-amino-3-pyridinyl)methanone

C11H12N4OS — CID 116585656

IUPAC[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-amino-3-pyridinyl)methanone
SMILESCC(N)c1nc(C(=O)c2cnccc2N)cs1
InChIInChI=1S/C11H12N4OS/c1-6(12)11-15-9(5-17-11)10(16)7-4-14-3-2-8(7)13/h2-6H,12H2,1H3,(H2,13,14)
InChIKeyPBBGHGKDVGNDBC-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.37
Rot. Bonds3

About [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-amino-3-pyridinyl)methanone

[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-amino-3-pyridinyl)methanone (PubChem CID 116585656) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-amino-3-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-amino-3-pyridinyl)methanone
PubChem CID116585656
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-amino-3-pyridinyl)methanone
SMILESCC(N)c1nc(C(=O)c2cnccc2N)cs1
InChIInChI=1S/C11H12N4OS/c1-6(12)11-15-9(5-17-11)10(16)7-4-14-3-2-8(7)13/h2-6H,12H2,1H3,(H2,13,14)
InChIKeyPBBGHGKDVGNDBC-UHFFFAOYSA-N
XLogP1.37
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-amino-3-pyridinyl)methanone?
The IUPAC name of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-amino-3-pyridinyl)methanone (CID 116585656) is [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-amino-3-pyridinyl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-amino-3-pyridinyl)methanone?
The canonical SMILES for [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-amino-3-pyridinyl)methanone is CC(N)c1nc(C(=O)c2cnccc2N)cs1.
What is the InChIKey of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-amino-3-pyridinyl)methanone?
The InChIKey is PBBGHGKDVGNDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-6(12)11-15-9(5-17-11)10(16)7-4-14-3-2-8(7)13/h2-6H,12H2,1H3,(H2,13,14).
What are the key properties of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-amino-3-pyridinyl)methanone?
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-amino-3-pyridinyl)methanone has a molecular weight of 248.31 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-amino-3-pyridinyl)methanone is sourced from PubChem (CID 116585656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).