2-[2-methylpropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid

C9H15N3O2S — CID 65267954

IUPAC2-[2-methylpropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
SMILESCc1nsc(N(CC(=O)O)CC(C)C)n1
InChIInChI=1S/C9H15N3O2S/c1-6(2)4-12(5-8(13)14)9-10-7(3)11-15-9/h6H,4-5H2,1-3H3,(H,13,14)
InChIKeyULWAFOCFCWBGGW-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.39
Rot. Bonds5

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

2-[2-methylpropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid (PubChem CID 65267954) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-[2-methylpropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
PubChem CID65267954
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name2-[2-methylpropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
SMILESCc1nsc(N(CC(=O)O)CC(C)C)n1
InChIInChI=1S/C9H15N3O2S/c1-6(2)4-12(5-8(13)14)9-10-7(3)11-15-9/h6H,4-5H2,1-3H3,(H,13,14)
InChIKeyULWAFOCFCWBGGW-UHFFFAOYSA-N
XLogP1.39
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258161
2-[(3-Methyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258403
2-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258561
2-[(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258566
2-[(3-Propyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258651
2-[(3-Ethyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258981
2-[Cyclopropylmethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
CID 107304274
2-[Propan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
CID 107304278
2-[Cyclopropyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
CID 107304281
2-[Butan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
CID 107304282
2-[Ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
CID 107304287
2-[Propyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
CID 107304288

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid (CID 65267954) is 2-[2-methylpropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid is Cc1nsc(N(CC(=O)O)CC(C)C)n1.
What is the InChIKey of 2-[2-methylpropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid?
The InChIKey is ULWAFOCFCWBGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-6(2)4-12(5-8(13)14)9-10-7(3)11-15-9/h6H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 2-[2-methylpropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid?
2-[2-methylpropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid has a molecular weight of 229.30 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid is sourced from PubChem (CID 65267954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).