2-carbamothioyl-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide

C10H16N4O2S — CID 106399310

IUPAC2-carbamothioyl-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide
SMILESCCC(C)(C(=O)NCCc1ncno1)C(N)=S
InChIInChI=1S/C10H16N4O2S/c1-3-10(2,8(11)17)9(15)12-5-4-7-13-6-14-16-7/h6H,3-5H2,1-2H3,(H2,11,17)(H,12,15)
InChIKeyFENAYCJKHNNUBE-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.43
Rot. Bonds6

About 2-carbamothioyl-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide

2-carbamothioyl-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide (PubChem CID 106399310) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-carbamothioyl-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-carbamothioyl-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide
PubChem CID106399310
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name2-carbamothioyl-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide
SMILESCCC(C)(C(=O)NCCc1ncno1)C(N)=S
InChIInChI=1S/C10H16N4O2S/c1-3-10(2,8(11)17)9(15)12-5-4-7-13-6-14-16-7/h6H,3-5H2,1-2H3,(H2,11,17)(H,12,15)
InChIKeyFENAYCJKHNNUBE-UHFFFAOYSA-N
XLogP0.43
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 106397573
2-carbamothioyl-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylbutanamide
CID 106035479
1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea
CID 103743952
3-amino-5,5-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]hexanamide
CID 114183576
2-carbamothioyl-2-methyl-N-(2-thiophen-3-ylethyl)butanamide
CID 113270556
2-[ethyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 114184442
4-carbamothioyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]oxane-4-carboxamide
CID 106399302
2-carbamothioyl-N-decyl-2-methylbutanamide
CID 114292426
3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-3-oxopropanoic acid
CID 104889379
4-amino-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 106397296
1-(3-methoxypropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiourea
CID 106395704
2-carbamothioyl-2-methyl-N-pyrimidin-2-ylbutanamide
CID 114291865

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide?
The IUPAC name of 2-carbamothioyl-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide (CID 106399310) is 2-carbamothioyl-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide.
What is the SMILES notation for 2-carbamothioyl-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide?
The canonical SMILES for 2-carbamothioyl-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide is CCC(C)(C(=O)NCCc1ncno1)C(N)=S.
What is the InChIKey of 2-carbamothioyl-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide?
The InChIKey is FENAYCJKHNNUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-3-10(2,8(11)17)9(15)12-5-4-7-13-6-14-16-7/h6H,3-5H2,1-2H3,(H2,11,17)(H,12,15).
What are the key properties of 2-carbamothioyl-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide?
2-carbamothioyl-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide has a molecular weight of 256.33 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide is sourced from PubChem (CID 106399310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).