2-(5-amino-2H-1,3-thiazol-3-yl)-N-ethylacetamide

C7H13N3OS — CID 173431596

IUPAC2-(5-amino-2H-1,3-thiazol-3-yl)-N-ethylacetamide
SMILESCCNC(=O)CN1C=C(N)SC1
InChIInChI=1S/C7H13N3OS/c1-2-9-7(11)4-10-3-6(8)12-5-10/h3H,2,4-5,8H2,1H3,(H,9,11)
InChIKeyDTRJOQDOUSQHOC-UHFFFAOYSA-N
MW187.27 g/mol
LogP-0.11
Rot. Bonds3

About 2-(5-amino-2H-1,3-thiazol-3-yl)-N-ethylacetamide

2-(5-amino-2H-1,3-thiazol-3-yl)-N-ethylacetamide (PubChem CID 173431596) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 2-(5-amino-2H-1,3-thiazol-3-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(5-amino-2H-1,3-thiazol-3-yl)-N-ethylacetamide
PubChem CID173431596
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name2-(5-amino-2H-1,3-thiazol-3-yl)-N-ethylacetamide
SMILESCCNC(=O)CN1C=C(N)SC1
InChIInChI=1S/C7H13N3OS/c1-2-9-7(11)4-10-3-6(8)12-5-10/h3H,2,4-5,8H2,1H3,(H,9,11)
InChIKeyDTRJOQDOUSQHOC-UHFFFAOYSA-N
XLogP-0.11
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2H-1,3-thiazol-3-yl)-N-ethylacetamide?
The IUPAC name of 2-(5-amino-2H-1,3-thiazol-3-yl)-N-ethylacetamide (CID 173431596) is 2-(5-amino-2H-1,3-thiazol-3-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(5-amino-2H-1,3-thiazol-3-yl)-N-ethylacetamide?
The canonical SMILES for 2-(5-amino-2H-1,3-thiazol-3-yl)-N-ethylacetamide is CCNC(=O)CN1C=C(N)SC1.
What is the InChIKey of 2-(5-amino-2H-1,3-thiazol-3-yl)-N-ethylacetamide?
The InChIKey is DTRJOQDOUSQHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-2-9-7(11)4-10-3-6(8)12-5-10/h3H,2,4-5,8H2,1H3,(H,9,11).
What are the key properties of 2-(5-amino-2H-1,3-thiazol-3-yl)-N-ethylacetamide?
2-(5-amino-2H-1,3-thiazol-3-yl)-N-ethylacetamide has a molecular weight of 187.27 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2H-1,3-thiazol-3-yl)-N-ethylacetamide is sourced from PubChem (CID 173431596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).