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

C10H17N3O2S — CID 65267484

IUPACmethyl 4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)Nc1nc(C)ns1
InChIInChI=1S/C10H17N3O2S/c1-6(2)5-8(9(14)15-4)12-10-11-7(3)13-16-10/h6,8H,5H2,1-4H3,(H,11,12,13)
InChIKeyWDAGTMKTDHDMAY-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.85
Rot. Bonds5

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

methyl 4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentanoate (PubChem CID 65267484) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is methyl 4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentanoate
PubChem CID65267484
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Namemethyl 4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)Nc1nc(C)ns1
InChIInChI=1S/C10H17N3O2S/c1-6(2)5-8(9(14)15-4)12-10-11-7(3)13-16-10/h6,8H,5H2,1-4H3,(H,11,12,13)
InChIKeyWDAGTMKTDHDMAY-UHFFFAOYSA-N
XLogP1.85
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.85
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
4-Methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentanoic acid
CID 107304306
Methyl 2-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentanoate
CID 107305862
Methyl 4-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentanoate
CID 113943859
(2R)-4-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentanoic acid
CID 122049253
(2S)-4-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentanoic acid
CID 122050075
(2S,3S)-3-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentanoic acid
CID 122050533
methyl (2S)-1-[(2S)-4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentanoyl]pyrrolidine-2-carboxylate
CID 12052379
methyl (2S)-2-[(3-methoxy-1,2,4-thiadiazol-5-yl)carbamoylamino]-4-methylpentanoate
CID 22887909
methyl (2S,3S)-2-[(3-methoxy-1,2,4-thiadiazol-5-yl)amino]-3-methylpentanoate
CID 22887918
methyl (2S)-2-[(3-methoxy-1,2,4-thiadiazol-5-yl)amino]-4-methylpentanoate
CID 22887919
(2S,3S)-2-[(3-methoxy-1,2,4-thiadiazol-5-yl)amino]-3-methylpentanoic acid
CID 141962982

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentanoate (CID 65267484) is methyl 4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentanoate is COC(=O)C(CC(C)C)Nc1nc(C)ns1.
What is the InChIKey of methyl 4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentanoate?
The InChIKey is WDAGTMKTDHDMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-6(2)5-8(9(14)15-4)12-10-11-7(3)13-16-10/h6,8H,5H2,1-4H3,(H,11,12,13).
What are the key properties of methyl 4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentanoate?
methyl 4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentanoate has a molecular weight of 243.33 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentanoate is sourced from PubChem (CID 65267484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).