7-amino-5-ethyl-1-(1,3-thiazol-5-yl)heptan-2-one

C12H20N2OS — CID 116578224

IUPAC7-amino-5-ethyl-1-(1,3-thiazol-5-yl)heptan-2-one
SMILESCCC(CCN)CCC(=O)Cc1cncs1
InChIInChI=1S/C12H20N2OS/c1-2-10(5-6-13)3-4-11(15)7-12-8-14-9-16-12/h8-10H,2-7,13H2,1H3
InChIKeyNTEDMFFZNCBKRY-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.41
Rot. Bonds8

About 7-amino-5-ethyl-1-(1,3-thiazol-5-yl)heptan-2-one

7-amino-5-ethyl-1-(1,3-thiazol-5-yl)heptan-2-one (PubChem CID 116578224) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 7-amino-5-ethyl-1-(1,3-thiazol-5-yl)heptan-2-one.

Molecular Properties

Compound Name7-amino-5-ethyl-1-(1,3-thiazol-5-yl)heptan-2-one
PubChem CID116578224
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name7-amino-5-ethyl-1-(1,3-thiazol-5-yl)heptan-2-one
SMILESCCC(CCN)CCC(=O)Cc1cncs1
InChIInChI=1S/C12H20N2OS/c1-2-10(5-6-13)3-4-11(15)7-12-8-14-9-16-12/h8-10H,2-7,13H2,1H3
InChIKeyNTEDMFFZNCBKRY-UHFFFAOYSA-N
XLogP2.41
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-aminoethyl)-6-methyl-1-(1,3-thiazol-5-yl)heptan-2-one
CID 116577945
8-amino-6-ethyloctan-3-one
CID 116578085
7-amino-1-(1-benzothiophen-3-yl)-5-ethylheptan-2-one
CID 116578159
1-ethoxy-3-(1,3-thiazol-5-yl)propan-2-one
CID 112642366
7-amino-1-(2-chloro-4-fluorophenyl)-5-ethylheptan-2-one
CID 116578233
4,4-dimethyl-1-(1,3-thiazol-5-yl)pentan-2-one
CID 112642314
7-amino-5-ethyl-1-(1-methylindazol-3-yl)heptan-2-one
CID 116578212
4,6,6-trimethyl-1-(1,3-thiazol-5-yl)heptan-2-one
CID 115796009
4-amino-1-(1,3-thiazol-5-yl)butan-2-ol
CID 82411793
7-amino-1-(2-chloro-6-fluorophenyl)-5-ethylheptan-2-one
CID 116578115
7-amino-1-(4-bromo-1,3-dimethylpyrazol-5-yl)-5-ethylheptan-2-one
CID 116578251
1-(1,3-thiazol-5-yl)hexan-3-one
CID 112641236

Frequently Asked Questions

What is the IUPAC name of 7-amino-5-ethyl-1-(1,3-thiazol-5-yl)heptan-2-one?
The IUPAC name of 7-amino-5-ethyl-1-(1,3-thiazol-5-yl)heptan-2-one (CID 116578224) is 7-amino-5-ethyl-1-(1,3-thiazol-5-yl)heptan-2-one.
What is the SMILES notation for 7-amino-5-ethyl-1-(1,3-thiazol-5-yl)heptan-2-one?
The canonical SMILES for 7-amino-5-ethyl-1-(1,3-thiazol-5-yl)heptan-2-one is CCC(CCN)CCC(=O)Cc1cncs1.
What is the InChIKey of 7-amino-5-ethyl-1-(1,3-thiazol-5-yl)heptan-2-one?
The InChIKey is NTEDMFFZNCBKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-2-10(5-6-13)3-4-11(15)7-12-8-14-9-16-12/h8-10H,2-7,13H2,1H3.
What are the key properties of 7-amino-5-ethyl-1-(1,3-thiazol-5-yl)heptan-2-one?
7-amino-5-ethyl-1-(1,3-thiazol-5-yl)heptan-2-one has a molecular weight of 240.37 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-ethyl-1-(1,3-thiazol-5-yl)heptan-2-one is sourced from PubChem (CID 116578224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).