2-amino-1-[2-[2-[2-(aminomethyl)-1,3-thiazol-4-yl]ethyl]-1,3-thiazol-4-yl]ethanone

C11H14N4OS2 — CID 167508977

IUPAC2-amino-1-[2-[2-[2-(aminomethyl)-1,3-thiazol-4-yl]ethyl]-1,3-thiazol-4-yl]ethanone
SMILESNCC(=O)c1csc(CCc2csc(CN)n2)n1
InChIInChI=1S/C11H14N4OS2/c12-3-9(16)8-6-18-10(15-8)2-1-7-5-17-11(4-13)14-7/h5-6H,1-4,12-13H2
InChIKeyPSLFCLGSZACZQS-UHFFFAOYSA-N
MW282.39 g/mol
LogP0.98
Rot. Bonds6

About 2-amino-1-[2-[2-[2-(aminomethyl)-1,3-thiazol-4-yl]ethyl]-1,3-thiazol-4-yl]ethanone

2-amino-1-[2-[2-[2-(aminomethyl)-1,3-thiazol-4-yl]ethyl]-1,3-thiazol-4-yl]ethanone (PubChem CID 167508977) has the molecular formula C11H14N4OS2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-amino-1-[2-[2-[2-(aminomethyl)-1,3-thiazol-4-yl]ethyl]-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[2-[2-[2-(aminomethyl)-1,3-thiazol-4-yl]ethyl]-1,3-thiazol-4-yl]ethanone
PubChem CID167508977
Molecular FormulaC11H14N4OS2
Molecular Weight282.39 g/mol
Exact Mass282.06
IUPAC Name2-amino-1-[2-[2-[2-(aminomethyl)-1,3-thiazol-4-yl]ethyl]-1,3-thiazol-4-yl]ethanone
SMILESNCC(=O)c1csc(CCc2csc(CN)n2)n1
InChIInChI=1S/C11H14N4OS2/c12-3-9(16)8-6-18-10(15-8)2-1-7-5-17-11(4-13)14-7/h5-6H,1-4,12-13H2
InChIKeyPSLFCLGSZACZQS-UHFFFAOYSA-N
XLogP0.98
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl N-[[4-[2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-1,3-thiazol-2-yl]ethyl]-1,3-thiazol-2-yl]methyl]carbamate
CID 162413464
1-[2-(Aminomethyl)-1,3-thiazol-4-yl]-4,4,4-trifluorobutan-1-one
CID 116585303
1-[2-(Aminomethyl)-1,3-thiazol-4-yl]propan-1-one
CID 67482149
Bis(2-methyl-1,3-thiazol-4-yl)methanone
CID 90744701
Bis[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]methanone
CID 141044550
Ethene;1-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)ethanone
CID 143623539
Bis[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone
CID 150769865
Bis(2-butyl-1,3-thiazol-4-yl)methanone
CID 151134675
Bis(2-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 151608953
Bis(2-ethyl-1,3-thiazol-4-yl)methanone
CID 151933109
Bis(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)methanone
CID 151970720
1-[2-[(2-Methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]ethanone
CID 64542591

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-[2-[2-(aminomethyl)-1,3-thiazol-4-yl]ethyl]-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 2-amino-1-[2-[2-[2-(aminomethyl)-1,3-thiazol-4-yl]ethyl]-1,3-thiazol-4-yl]ethanone (CID 167508977) is 2-amino-1-[2-[2-[2-(aminomethyl)-1,3-thiazol-4-yl]ethyl]-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 2-amino-1-[2-[2-[2-(aminomethyl)-1,3-thiazol-4-yl]ethyl]-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 2-amino-1-[2-[2-[2-(aminomethyl)-1,3-thiazol-4-yl]ethyl]-1,3-thiazol-4-yl]ethanone is NCC(=O)c1csc(CCc2csc(CN)n2)n1.
What is the InChIKey of 2-amino-1-[2-[2-[2-(aminomethyl)-1,3-thiazol-4-yl]ethyl]-1,3-thiazol-4-yl]ethanone?
The InChIKey is PSLFCLGSZACZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS2/c12-3-9(16)8-6-18-10(15-8)2-1-7-5-17-11(4-13)14-7/h5-6H,1-4,12-13H2.
What are the key properties of 2-amino-1-[2-[2-[2-(aminomethyl)-1,3-thiazol-4-yl]ethyl]-1,3-thiazol-4-yl]ethanone?
2-amino-1-[2-[2-[2-(aminomethyl)-1,3-thiazol-4-yl]ethyl]-1,3-thiazol-4-yl]ethanone has a molecular weight of 282.39 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-[2-[2-(aminomethyl)-1,3-thiazol-4-yl]ethyl]-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 167508977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).