N-cyclopropyl-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide

C8H11N3O2S — CID 108530766

IUPACN-cyclopropyl-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide
SMILESO=C(NC1=NCCS1)C(=O)NC1CC1
InChIInChI=1S/C8H11N3O2S/c12-6(10-5-1-2-5)7(13)11-8-9-3-4-14-8/h5H,1-4H2,(H,10,12)(H,9,11,13)
InChIKeyQJKZUBDWAFROQD-UHFFFAOYSA-N
MW213.26 g/mol
LogP-0.52
Rot. Bonds1

About N-cyclopropyl-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide

N-cyclopropyl-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide (PubChem CID 108530766) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is N-cyclopropyl-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide
PubChem CID108530766
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC NameN-cyclopropyl-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide
SMILESO=C(NC1=NCCS1)C(=O)NC1CC1
InChIInChI=1S/C8H11N3O2S/c12-6(10-5-1-2-5)7(13)11-8-9-3-4-14-8/h5H,1-4H2,(H,10,12)(H,9,11,13)
InChIKeyQJKZUBDWAFROQD-UHFFFAOYSA-N
XLogP-0.52
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide?
The IUPAC name of N-cyclopropyl-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide (CID 108530766) is N-cyclopropyl-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide.
What is the SMILES notation for N-cyclopropyl-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide?
The canonical SMILES for N-cyclopropyl-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide is O=C(NC1=NCCS1)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide?
The InChIKey is QJKZUBDWAFROQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c12-6(10-5-1-2-5)7(13)11-8-9-3-4-14-8/h5H,1-4H2,(H,10,12)(H,9,11,13).
What are the key properties of N-cyclopropyl-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide?
N-cyclopropyl-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide has a molecular weight of 213.26 g/mol, XLogP of -0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide is sourced from PubChem (CID 108530766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).