1-[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]ethanone

C7H11N3OS — CID 4778810

IUPAC1-[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]ethanone
SMILESCCNc1nc(N)c(C(C)=O)s1
InChIInChI=1S/C7H11N3OS/c1-3-9-7-10-6(8)5(12-7)4(2)11/h3,8H2,1-2H3,(H,9,10)
InChIKeyJTLFAGXHEHPGGK-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.36
Rot. Bonds3

About 1-[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]ethanone

1-[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]ethanone (PubChem CID 4778810) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 1-[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]ethanone
PubChem CID4778810
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name1-[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]ethanone
SMILESCCNc1nc(N)c(C(C)=O)s1
InChIInChI=1S/C7H11N3OS/c1-3-9-7-10-6(8)5(12-7)4(2)11/h3,8H2,1-2H3,(H,9,10)
InChIKeyJTLFAGXHEHPGGK-UHFFFAOYSA-N
XLogP1.36
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]ethanone (CID 4778810) is 1-[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]ethanone is CCNc1nc(N)c(C(C)=O)s1.
What is the InChIKey of 1-[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]ethanone?
The InChIKey is JTLFAGXHEHPGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-3-9-7-10-6(8)5(12-7)4(2)11/h3,8H2,1-2H3,(H,9,10).
What are the key properties of 1-[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]ethanone?
1-[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]ethanone has a molecular weight of 185.25 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 4778810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).