N',N'-bis(prop-2-enyl)-N-(1,3,4-thiadiazol-2-yl)oxamide

C10H12N4O2S — CID 47336045

IUPACN',N'-bis(prop-2-enyl)-N-(1,3,4-thiadiazol-2-yl)oxamide
SMILESC=CCN(CC=C)C(=O)C(=O)Nc1nncs1
InChIInChI=1S/C10H12N4O2S/c1-3-5-14(6-4-2)9(16)8(15)12-10-13-11-7-17-10/h3-4,7H,1-2,5-6H2,(H,12,13,15)
InChIKeyVYAYVDNXRQEEEU-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.68
Rot. Bonds5

About N',N'-bis(prop-2-enyl)-N-(1,3,4-thiadiazol-2-yl)oxamide

N',N'-bis(prop-2-enyl)-N-(1,3,4-thiadiazol-2-yl)oxamide (PubChem CID 47336045) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is N',N'-bis(prop-2-enyl)-N-(1,3,4-thiadiazol-2-yl)oxamide.

Molecular Properties

Compound NameN',N'-bis(prop-2-enyl)-N-(1,3,4-thiadiazol-2-yl)oxamide
PubChem CID47336045
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC NameN',N'-bis(prop-2-enyl)-N-(1,3,4-thiadiazol-2-yl)oxamide
SMILESC=CCN(CC=C)C(=O)C(=O)Nc1nncs1
InChIInChI=1S/C10H12N4O2S/c1-3-5-14(6-4-2)9(16)8(15)12-10-13-11-7-17-10/h3-4,7H,1-2,5-6H2,(H,12,13,15)
InChIKeyVYAYVDNXRQEEEU-UHFFFAOYSA-N
XLogP0.68
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2H-pyridin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 173280889
2-[[2-[[5-(Prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]acetamide
CID 8494935
2-(2-oxo-1-pyridinyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 45805249
N-[3-(dimethylamino)propyl]-N'-(1,3,4-thiadiazol-2-yl)oxamide
CID 47333314
2-oxo-2-pyrrolidin-1-yl-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 47335693
N',N'-diethyl-N-(1,3,4-thiadiazol-2-yl)oxamide
CID 47335932
N',N'-dipropyl-N-(1,3,4-thiadiazol-2-yl)oxamide
CID 47336017
N',N'-dibutyl-N-(1,3,4-thiadiazol-2-yl)oxamide
CID 47336026
N',N'-bis(2-methylpropyl)-N-(1,3,4-thiadiazol-2-yl)oxamide
CID 47336117
N'-butyl-N'-ethyl-N-(1,3,4-thiadiazol-2-yl)oxamide
CID 47336615
2-(5-amino-2-oxo-1-pyridinyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 62817028
2-[ethyl(2-methylprop-2-enyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 78820861

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(prop-2-enyl)-N-(1,3,4-thiadiazol-2-yl)oxamide?
The IUPAC name of N',N'-bis(prop-2-enyl)-N-(1,3,4-thiadiazol-2-yl)oxamide (CID 47336045) is N',N'-bis(prop-2-enyl)-N-(1,3,4-thiadiazol-2-yl)oxamide.
What is the SMILES notation for N',N'-bis(prop-2-enyl)-N-(1,3,4-thiadiazol-2-yl)oxamide?
The canonical SMILES for N',N'-bis(prop-2-enyl)-N-(1,3,4-thiadiazol-2-yl)oxamide is C=CCN(CC=C)C(=O)C(=O)Nc1nncs1.
What is the InChIKey of N',N'-bis(prop-2-enyl)-N-(1,3,4-thiadiazol-2-yl)oxamide?
The InChIKey is VYAYVDNXRQEEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-3-5-14(6-4-2)9(16)8(15)12-10-13-11-7-17-10/h3-4,7H,1-2,5-6H2,(H,12,13,15).
What are the key properties of N',N'-bis(prop-2-enyl)-N-(1,3,4-thiadiazol-2-yl)oxamide?
N',N'-bis(prop-2-enyl)-N-(1,3,4-thiadiazol-2-yl)oxamide has a molecular weight of 252.30 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(prop-2-enyl)-N-(1,3,4-thiadiazol-2-yl)oxamide is sourced from PubChem (CID 47336045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).