2-cyclopropyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid

C11H17N3O2S — CID 65270325

IUPAC2-cyclopropyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
SMILESCC(C)c1nsc(NC(C)(C(=O)O)C2CC2)n1
InChIInChI=1S/C11H17N3O2S/c1-6(2)8-12-10(17-14-8)13-11(3,9(15)16)7-4-5-7/h6-7H,4-5H2,1-3H3,(H,15,16)(H,12,13,14)
InChIKeyANNKXVIVSGOYLA-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.33
Rot. Bonds5

About 2-cyclopropyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid

2-cyclopropyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid (PubChem CID 65270325) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
PubChem CID65270325
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-cyclopropyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
SMILESCC(C)c1nsc(NC(C)(C(=O)O)C2CC2)n1
InChIInChI=1S/C11H17N3O2S/c1-6(2)8-12-10(17-14-8)13-11(3,9(15)16)7-4-5-7/h6-7H,4-5H2,1-3H3,(H,15,16)(H,12,13,14)
InChIKeyANNKXVIVSGOYLA-UHFFFAOYSA-N
XLogP2.33
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-propan-2-yl-1,2,4-thiadiazol-5-yl)carbamic acid
CID 68803275
3-methyl-4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]butanoic acid
CID 81065823
N-cyclopropyl-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65269115
2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxamide
CID 133430381
N-(1-methoxy-2-methylpropan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 115886040
N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxamide
CID 70865086
N-[2-(4-methylcyclohexyl)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65273820
4-methyl-6-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]hexanoic acid
CID 65270163
3-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclobutan-1-ol
CID 66005694
3-propan-2-yl-N-pyrrolidin-3-yl-1,2,4-thiadiazol-5-amine
CID 65275883
methyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoate
CID 65271392
2-[1-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexyl]acetic acid
CID 65270509

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid (CID 65270325) is 2-cyclopropyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid is CC(C)c1nsc(NC(C)(C(=O)O)C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid?
The InChIKey is ANNKXVIVSGOYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-6(2)8-12-10(17-14-8)13-11(3,9(15)16)7-4-5-7/h6-7H,4-5H2,1-3H3,(H,15,16)(H,12,13,14).
What are the key properties of 2-cyclopropyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid?
2-cyclopropyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid has a molecular weight of 255.34 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid is sourced from PubChem (CID 65270325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).