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

C8H13N3O2S — CID 65271138

IUPACmethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate
SMILESCOC(=O)CNc1nc(C(C)C)ns1
InChIInChI=1S/C8H13N3O2S/c1-5(2)7-10-8(14-11-7)9-4-6(12)13-3/h5H,4H2,1-3H3,(H,9,10,11)
InChIKeyOLCRKDRAZXSBKO-UHFFFAOYSA-N
MW215.28 g/mol
LogP1.25
Rot. Bonds4

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

methyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate (PubChem CID 65271138) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is methyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate
PubChem CID65271138
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Namemethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate
SMILESCOC(=O)CNc1nc(C(C)C)ns1
InChIInChI=1S/C8H13N3O2S/c1-5(2)7-10-8(14-11-7)9-4-6(12)13-3/h5H,4H2,1-3H3,(H,9,10,11)
InChIKeyOLCRKDRAZXSBKO-UHFFFAOYSA-N
XLogP1.25
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 3-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanoate
CID 107304304
Methyl 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetate
CID 107304678
Methyl 2-[5-(2-methylpropylamino)-1,2,4-thiadiazol-3-yl]acetate
CID 57228527
Methyl 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]acetate
CID 14749036
Methyl 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate
CID 14749037
Methyl 2-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetate
CID 14749040
Ethyl 2-[[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]amino]acetate
CID 19317748
Ethyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetate
CID 65267448
Ethyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate
CID 65267455
2-[(3-Methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
CID 65267658
3-(methoxymethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 65267703
Methyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate
CID 65268035

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate?
The IUPAC name of methyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate (CID 65271138) is methyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate?
The canonical SMILES for methyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate is COC(=O)CNc1nc(C(C)C)ns1.
What is the InChIKey of methyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate?
The InChIKey is OLCRKDRAZXSBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-5(2)7-10-8(14-11-7)9-4-6(12)13-3/h5H,4H2,1-3H3,(H,9,10,11).
What are the key properties of methyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate?
methyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate has a molecular weight of 215.28 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate is sourced from PubChem (CID 65271138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).