2-[butyl(methyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

C10H18N4OS — CID 3072293

IUPAC2-[butyl(methyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCCN(C)CC(=O)Nc1nnc(C)s1
InChIInChI=1S/C10H18N4OS/c1-4-5-6-14(3)7-9(15)11-10-13-12-8(2)16-10/h4-7H2,1-3H3,(H,11,13,15)
InChIKeyOSZMKGSLIJAHIQ-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.52
Rot. Bonds6

About 2-[butyl(methyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

2-[butyl(methyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 3072293) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID3072293
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name2-[butyl(methyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCCN(C)CC(=O)Nc1nnc(C)s1
InChIInChI=1S/C10H18N4OS/c1-4-5-6-14(3)7-9(15)11-10-13-12-8(2)16-10/h4-7H2,1-3H3,(H,11,13,15)
InChIKeyOSZMKGSLIJAHIQ-UHFFFAOYSA-N
XLogP1.52
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(diethylamino)ethyl]-N'-(5-propyl-1,3,4-thiadiazol-2-yl)ethanediamide
CID 1860900
Acetamide, 2-(dimethylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-
CID 1091545
1-Piperidineacetamide, N-(5-ethyl-1,3,4-thiadiazol-2-yl)-
CID 787680
Acetamide, 2-(dimethylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-
CID 1091546
2-(4-Methyl-piperazin-1-yl)-N-(5-propyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 2960408
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(4-propyl-1-piperazinyl)acetamide
CID 6465732
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-propylpiperazin-1-yl)acetamide
CID 6465949
2-(4-ethylpiperazin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 6467563
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3-methylpiperidin-1-yl)acetamide
CID 6467632
N-[5-(2-Piperidin-1-yl-ethyl)-[1,3,4]thiadiazol-2-yl]-acetamide
CID 2039148
Acetamide, 2-(diethylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-
CID 2301583
Acetamide, 2-(dimethylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-
CID 3076716

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[butyl(methyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 3072293) is 2-[butyl(methyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[butyl(methyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[butyl(methyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is CCCCN(C)CC(=O)Nc1nnc(C)s1.
What is the InChIKey of 2-[butyl(methyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is OSZMKGSLIJAHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-4-5-6-14(3)7-9(15)11-10-13-12-8(2)16-10/h4-7H2,1-3H3,(H,11,13,15).
What are the key properties of 2-[butyl(methyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[butyl(methyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 242.35 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 3072293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).