methyl 2-[5-(2,2-dimethylpropanoylamino)-1,2,4-thiadiazol-3-yl]acetate

C10H15N3O3S — CID 21458527

IUPACmethyl 2-[5-(2,2-dimethylpropanoylamino)-1,2,4-thiadiazol-3-yl]acetate
SMILESCOC(=O)Cc1nsc(NC(=O)C(C)(C)C)n1
InChIInChI=1S/C10H15N3O3S/c1-10(2,3)8(15)12-9-11-6(13-17-9)5-7(14)16-4/h5H2,1-4H3,(H,11,12,13,15)
InChIKeyJJWNBYJZWFDHGY-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.24
Rot. Bonds3

About methyl 2-[5-(2,2-dimethylpropanoylamino)-1,2,4-thiadiazol-3-yl]acetate

methyl 2-[5-(2,2-dimethylpropanoylamino)-1,2,4-thiadiazol-3-yl]acetate (PubChem CID 21458527) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is methyl 2-[5-(2,2-dimethylpropanoylamino)-1,2,4-thiadiazol-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(2,2-dimethylpropanoylamino)-1,2,4-thiadiazol-3-yl]acetate
PubChem CID21458527
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Namemethyl 2-[5-(2,2-dimethylpropanoylamino)-1,2,4-thiadiazol-3-yl]acetate
SMILESCOC(=O)Cc1nsc(NC(=O)C(C)(C)C)n1
InChIInChI=1S/C10H15N3O3S/c1-10(2,3)8(15)12-9-11-6(13-17-9)5-7(14)16-4/h5H2,1-4H3,(H,11,12,13,15)
InChIKeyJJWNBYJZWFDHGY-UHFFFAOYSA-N
XLogP1.24
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]carbamate
CID 12368414
2-(5-{[(Tert-butoxy)carbonyl]amino}-1,2,4-thiadiazol-3-yl)acetic acid
CID 22124376
1,2,4-Thiadiazole-3-acetic acid, 5-[(ethoxycarbonyl)amino]-, methyl ester
CID 22726932
Methyl 2-[5-(methoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetate
CID 10198517
Ethyl (5-amino-1,2,4-thiadiazol-3-yl)acetate
CID 13326900
Ethyl alpha-(5-t-butoxycarbonylamino-1,2,4-thiadiazol-3-yl)acetate
CID 20226075
Ethyl 2-(5-((ethoxycarbonyl)amino)-1,2,4-thiadiazol-3-yl)acetate
CID 21458503
methyl N-[3-(2-oxoethyl)-1,2,4-thiadiazol-5-yl]carbamate
CID 21458519
Ethyl 2-[5-(2-methylpropoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetate
CID 21458538
2-(5-Acetamido-1,2,4-thiadiazol-3-yl)acetic acid
CID 21458548
2-[5-(Methoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetic acid
CID 21458554
Ethyl 2-[5-(methoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetate
CID 21458556

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(2,2-dimethylpropanoylamino)-1,2,4-thiadiazol-3-yl]acetate?
The IUPAC name of methyl 2-[5-(2,2-dimethylpropanoylamino)-1,2,4-thiadiazol-3-yl]acetate (CID 21458527) is methyl 2-[5-(2,2-dimethylpropanoylamino)-1,2,4-thiadiazol-3-yl]acetate.
What is the SMILES notation for methyl 2-[5-(2,2-dimethylpropanoylamino)-1,2,4-thiadiazol-3-yl]acetate?
The canonical SMILES for methyl 2-[5-(2,2-dimethylpropanoylamino)-1,2,4-thiadiazol-3-yl]acetate is COC(=O)Cc1nsc(NC(=O)C(C)(C)C)n1.
What is the InChIKey of methyl 2-[5-(2,2-dimethylpropanoylamino)-1,2,4-thiadiazol-3-yl]acetate?
The InChIKey is JJWNBYJZWFDHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-10(2,3)8(15)12-9-11-6(13-17-9)5-7(14)16-4/h5H2,1-4H3,(H,11,12,13,15).
What are the key properties of methyl 2-[5-(2,2-dimethylpropanoylamino)-1,2,4-thiadiazol-3-yl]acetate?
methyl 2-[5-(2,2-dimethylpropanoylamino)-1,2,4-thiadiazol-3-yl]acetate has a molecular weight of 257.31 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(2,2-dimethylpropanoylamino)-1,2,4-thiadiazol-3-yl]acetate is sourced from PubChem (CID 21458527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).