2-(2-amino-1,3-thiazol-4-yl)-N-formylacetamide

C6H7N3O2S — CID 56988029

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-formylacetamide
SMILESNc1nc(CC(=O)NC=O)cs1
InChIInChI=1S/C6H7N3O2S/c7-6-9-4(2-12-6)1-5(11)8-3-10/h2-3H,1H2,(H2,7,9)(H,8,10,11)
InChIKeyTVZGHZKXIWHQAE-UHFFFAOYSA-N
MW185.21 g/mol
LogP-0.46
Rot. Bonds3

About 2-(2-amino-1,3-thiazol-4-yl)-N-formylacetamide

2-(2-amino-1,3-thiazol-4-yl)-N-formylacetamide (PubChem CID 56988029) has the molecular formula C6H7N3O2S and a molecular weight of 185.21 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-formylacetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-formylacetamide
PubChem CID56988029
Molecular FormulaC6H7N3O2S
Molecular Weight185.21 g/mol
Exact Mass185.03
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-formylacetamide
SMILESNc1nc(CC(=O)NC=O)cs1
InChIInChI=1S/C6H7N3O2S/c7-6-9-4(2-12-6)1-5(11)8-3-10/h2-3H,1H2,(H2,7,9)(H,8,10,11)
InChIKeyTVZGHZKXIWHQAE-UHFFFAOYSA-N
XLogP-0.46
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.21
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)acetamide
CID 63227328
2-(2-amino-1,3-thiazol-4-yl)-N-(4-iodophenyl)acetamide
CID 12686359
1-(2-amino-1,3-thiazol-4-yl)propan-2-one
CID 22977217
2-(2-amino-1,3-thiazol-4-yl)acetic acid;hydrochloride
CID 13017673
2-(2-amino-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 62795554
2-(2-amino-1,3-thiazol-4-yl)-N-pentan-3-ylacetamide
CID 62797095
2-(2-amino-1,3-thiazol-4-yl)-N-(3-hydroxypropyl)acetamide
CID 62797982
N,N-bis(2-amino-2-oxoethyl)-2-(2-amino-1,3-thiazol-4-yl)acetamide
CID 62921565
2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]propanamide
CID 62798707
2-(2-amino-1,3-thiazol-4-yl)-N-pyridin-4-ylacetamide
CID 62795383
N-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 62798939
2-(2-amino-1,3-thiazol-4-yl)-N-thiophen-3-ylacetamide
CID 66351961

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-formylacetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-formylacetamide (CID 56988029) is 2-(2-amino-1,3-thiazol-4-yl)-N-formylacetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-formylacetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-formylacetamide is Nc1nc(CC(=O)NC=O)cs1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-formylacetamide?
The InChIKey is TVZGHZKXIWHQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2S/c7-6-9-4(2-12-6)1-5(11)8-3-10/h2-3H,1H2,(H2,7,9)(H,8,10,11).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-formylacetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-formylacetamide has a molecular weight of 185.21 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-formylacetamide is sourced from PubChem (CID 56988029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).