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

C9H15N3O4S — CID 108509939

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-N',N'-bis(2-hydroxyethyl)oxamide
SMILESO=C(NC1=NCCS1)C(=O)N(CCO)CCO
InChIInChI=1S/C9H15N3O4S/c13-4-2-12(3-5-14)8(16)7(15)11-9-10-1-6-17-9/h13-14H,1-6H2,(H,10,11,15)
InChIKeyOLFAAWUJKBHNCU-UHFFFAOYSA-N
MW261.30 g/mol
LogP-1.98
Rot. Bonds4

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

N-(4,5-dihydro-1,3-thiazol-2-yl)-N',N'-bis(2-hydroxyethyl)oxamide (PubChem CID 108509939) has the molecular formula C9H15N3O4S and a molecular weight of 261.30 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-N',N'-bis(2-hydroxyethyl)oxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-N',N'-bis(2-hydroxyethyl)oxamide
PubChem CID108509939
Molecular FormulaC9H15N3O4S
Molecular Weight261.30 g/mol
Exact Mass261.08
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-N',N'-bis(2-hydroxyethyl)oxamide
SMILESO=C(NC1=NCCS1)C(=O)N(CCO)CCO
InChIInChI=1S/C9H15N3O4S/c13-4-2-12(3-5-14)8(16)7(15)11-9-10-1-6-17-9/h13-14H,1-6H2,(H,10,11,15)
InChIKeyOLFAAWUJKBHNCU-UHFFFAOYSA-N
XLogP-1.98
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 5-1.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(4,5-dihydro-1,3-thiazol-2-yl)-N',N'-bis(2-hydroxyethyl)oxamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-N',N'-bis(2-hydroxyethyl)oxamide (CID 108509939) is N-(4,5-dihydro-1,3-thiazol-2-yl)-N',N'-bis(2-hydroxyethyl)oxamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-N',N'-bis(2-hydroxyethyl)oxamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-N',N'-bis(2-hydroxyethyl)oxamide is O=C(NC1=NCCS1)C(=O)N(CCO)CCO.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-N',N'-bis(2-hydroxyethyl)oxamide?
The InChIKey is OLFAAWUJKBHNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S/c13-4-2-12(3-5-14)8(16)7(15)11-9-10-1-6-17-9/h13-14H,1-6H2,(H,10,11,15).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-N',N'-bis(2-hydroxyethyl)oxamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-N',N'-bis(2-hydroxyethyl)oxamide has a molecular weight of 261.30 g/mol, XLogP of -1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-N',N'-bis(2-hydroxyethyl)oxamide is sourced from PubChem (CID 108509939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).