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

C12H14N4OS — CID 116585729

IUPAC1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-2-(4-amino-3-pyridinyl)ethanone
SMILESCC(N)c1nc(C(=O)Cc2cnccc2N)cs1
InChIInChI=1S/C12H14N4OS/c1-7(13)12-16-10(6-18-12)11(17)4-8-5-15-3-2-9(8)14/h2-3,5-7H,4,13H2,1H3,(H2,14,15)
InChIKeyZIPYAFCPIXYJMV-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.57
Rot. Bonds4

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

1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-2-(4-amino-3-pyridinyl)ethanone (PubChem CID 116585729) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-2-(4-amino-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-2-(4-amino-3-pyridinyl)ethanone
PubChem CID116585729
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-2-(4-amino-3-pyridinyl)ethanone
SMILESCC(N)c1nc(C(=O)Cc2cnccc2N)cs1
InChIInChI=1S/C12H14N4OS/c1-7(13)12-16-10(6-18-12)11(17)4-8-5-15-3-2-9(8)14/h2-3,5-7H,4,13H2,1H3,(H2,14,15)
InChIKeyZIPYAFCPIXYJMV-UHFFFAOYSA-N
XLogP1.57
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-amino-3-pyridinyl)methanone
CID 116585656
1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-2-(4-tert-butylphenyl)ethanone
CID 116585793
1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-2-(4-bromothiophen-2-yl)ethanone
CID 116585831
1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-2-(3-fluorophenyl)ethanone
CID 116585635
1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-2-(2-bromo-5-methoxyphenyl)ethanone
CID 116585868
2-(1-aminoethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 66372661
1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-3-phenylpropan-1-one
CID 116585753
1-(4-amino-3-pyridinyl)-3-methoxybutan-2-one
CID 79617121
1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]heptan-1-one
CID 116585789
1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 116585639
1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-3-(4-methoxyphenyl)propan-1-one
CID 116585658
2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide
CID 66389377

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-2-(4-amino-3-pyridinyl)ethanone?
The IUPAC name of 1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-2-(4-amino-3-pyridinyl)ethanone (CID 116585729) is 1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-2-(4-amino-3-pyridinyl)ethanone.
What is the SMILES notation for 1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-2-(4-amino-3-pyridinyl)ethanone?
The canonical SMILES for 1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-2-(4-amino-3-pyridinyl)ethanone is CC(N)c1nc(C(=O)Cc2cnccc2N)cs1.
What is the InChIKey of 1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-2-(4-amino-3-pyridinyl)ethanone?
The InChIKey is ZIPYAFCPIXYJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-7(13)12-16-10(6-18-12)11(17)4-8-5-15-3-2-9(8)14/h2-3,5-7H,4,13H2,1H3,(H2,14,15).
What are the key properties of 1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-2-(4-amino-3-pyridinyl)ethanone?
1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-2-(4-amino-3-pyridinyl)ethanone has a molecular weight of 262.34 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-2-(4-amino-3-pyridinyl)ethanone is sourced from PubChem (CID 116585729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).