N-[3-(dimethylamino)propyl]-N'-(1,3,4-thiadiazol-2-yl)oxamide

C9H15N5O2S — CID 47333314

IUPACN-[3-(dimethylamino)propyl]-N'-(1,3,4-thiadiazol-2-yl)oxamide
SMILESCN(C)CCCNC(=O)C(=O)Nc1nncs1
InChIInChI=1S/C9H15N5O2S/c1-14(2)5-3-4-10-7(15)8(16)12-9-13-11-6-17-9/h6H,3-5H2,1-2H3,(H,10,15)(H,12,13,16)
InChIKeyJKPLLMSIKOGUCV-UHFFFAOYSA-N
MW257.32 g/mol
LogP-0.46
Rot. Bonds5

About N-[3-(dimethylamino)propyl]-N'-(1,3,4-thiadiazol-2-yl)oxamide

N-[3-(dimethylamino)propyl]-N'-(1,3,4-thiadiazol-2-yl)oxamide (PubChem CID 47333314) has the molecular formula C9H15N5O2S and a molecular weight of 257.32 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N'-(1,3,4-thiadiazol-2-yl)oxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N'-(1,3,4-thiadiazol-2-yl)oxamide
PubChem CID47333314
Molecular FormulaC9H15N5O2S
Molecular Weight257.32 g/mol
Exact Mass257.09
IUPAC NameN-[3-(dimethylamino)propyl]-N'-(1,3,4-thiadiazol-2-yl)oxamide
SMILESCN(C)CCCNC(=O)C(=O)Nc1nncs1
InChIInChI=1S/C9H15N5O2S/c1-14(2)5-3-4-10-7(15)8(16)12-9-13-11-6-17-9/h6H,3-5H2,1-2H3,(H,10,15)(H,12,13,16)
InChIKeyJKPLLMSIKOGUCV-UHFFFAOYSA-N
XLogP-0.46
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N'-(1,3,4-thiadiazol-2-yl)oxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N'-(1,3,4-thiadiazol-2-yl)oxamide (CID 47333314) is N-[3-(dimethylamino)propyl]-N'-(1,3,4-thiadiazol-2-yl)oxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N'-(1,3,4-thiadiazol-2-yl)oxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N'-(1,3,4-thiadiazol-2-yl)oxamide is CN(C)CCCNC(=O)C(=O)Nc1nncs1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N'-(1,3,4-thiadiazol-2-yl)oxamide?
The InChIKey is JKPLLMSIKOGUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2S/c1-14(2)5-3-4-10-7(15)8(16)12-9-13-11-6-17-9/h6H,3-5H2,1-2H3,(H,10,15)(H,12,13,16).
What are the key properties of N-[3-(dimethylamino)propyl]-N'-(1,3,4-thiadiazol-2-yl)oxamide?
N-[3-(dimethylamino)propyl]-N'-(1,3,4-thiadiazol-2-yl)oxamide has a molecular weight of 257.32 g/mol, XLogP of -0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N'-(1,3,4-thiadiazol-2-yl)oxamide is sourced from PubChem (CID 47333314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).