N-methyl-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide

C8H13N3OS — CID 143219882

IUPACN-methyl-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide
SMILESCNC(=O)Cc1nc(C(C)C)ns1
InChIInChI=1S/C8H13N3OS/c1-5(2)8-10-7(13-11-8)4-6(12)9-3/h5H,4H2,1-3H3,(H,9,12)
InChIKeyIRNGONIHLPLIQW-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.95
Rot. Bonds3

About N-methyl-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide

N-methyl-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide (PubChem CID 143219882) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is N-methyl-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide
PubChem CID143219882
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC NameN-methyl-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide
SMILESCNC(=O)Cc1nc(C(C)C)ns1
InChIInChI=1S/C8H13N3OS/c1-5(2)8-10-7(13-11-8)4-6(12)9-3/h5H,4H2,1-3H3,(H,9,12)
InChIKeyIRNGONIHLPLIQW-UHFFFAOYSA-N
XLogP0.95
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107305114
2-(3-Methyl-1,2,4-thiadiazol-5-yl)propanamide
CID 67187421
2-(3-Methyl-1,2,4-thiadiazol-5-yl)acetamide
CID 67486486
3-tert-butyl-N-methyl-1,2,4-thiadiazole-5-carboxamide
CID 68241252
5-tert-butyl-N-methyl-1,2,4-thiadiazole-3-carboxamide
CID 139497476
2-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide
CID 143219880
2-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)propanamide
CID 143219892
N-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidine-3-carboxamide;hydrochloride
CID 160987118
N-methyl-5-propan-2-yl-1,2,4-thiadiazole-3-carboxamide
CID 166021944
2-(5-ethyl-1,2,4-thiadiazol-3-yl)-N-methylacetamide
CID 167061493
1-[5-(2-Methylpropylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 1132701
N-methyl-2-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide
CID 11030280

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide?
The IUPAC name of N-methyl-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide (CID 143219882) is N-methyl-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide.
What is the SMILES notation for N-methyl-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide?
The canonical SMILES for N-methyl-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide is CNC(=O)Cc1nc(C(C)C)ns1.
What is the InChIKey of N-methyl-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide?
The InChIKey is IRNGONIHLPLIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-5(2)8-10-7(13-11-8)4-6(12)9-3/h5H,4H2,1-3H3,(H,9,12).
What are the key properties of N-methyl-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide?
N-methyl-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide has a molecular weight of 199.28 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide is sourced from PubChem (CID 143219882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).