2-[cyclopropyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]acetamide

C8H11N3O2S — CID 89440567

IUPAC2-[cyclopropyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]acetamide
SMILESNC(=O)CN(C1=NC(=O)SC1)C1CC1
InChIInChI=1S/C8H11N3O2S/c9-6(12)3-11(5-1-2-5)7-4-14-8(13)10-7/h5H,1-4H2,(H2,9,12)
InChIKeyDJHMQDOYZFYJOD-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.20
Rot. Bonds3

About 2-[cyclopropyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]acetamide

2-[cyclopropyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]acetamide (PubChem CID 89440567) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-[cyclopropyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]acetamide
PubChem CID89440567
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name2-[cyclopropyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]acetamide
SMILESNC(=O)CN(C1=NC(=O)SC1)C1CC1
InChIInChI=1S/C8H11N3O2S/c9-6(12)3-11(5-1-2-5)7-4-14-8(13)10-7/h5H,1-4H2,(H2,9,12)
InChIKeyDJHMQDOYZFYJOD-UHFFFAOYSA-N
XLogP0.20
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]acetamide?
The IUPAC name of 2-[cyclopropyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]acetamide (CID 89440567) is 2-[cyclopropyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]acetamide.
What is the SMILES notation for 2-[cyclopropyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]acetamide?
The canonical SMILES for 2-[cyclopropyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]acetamide is NC(=O)CN(C1=NC(=O)SC1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]acetamide?
The InChIKey is DJHMQDOYZFYJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c9-6(12)3-11(5-1-2-5)7-4-14-8(13)10-7/h5H,1-4H2,(H2,9,12).
What are the key properties of 2-[cyclopropyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]acetamide?
2-[cyclopropyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]acetamide has a molecular weight of 213.26 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]acetamide is sourced from PubChem (CID 89440567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).