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

C8H11N3O2S — CID 65209820

IUPAC2-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetic acid
SMILESCc1nnc(NC(C(=O)O)C2CC2)s1
InChIInChI=1S/C8H11N3O2S/c1-4-10-11-8(14-4)9-6(7(12)13)5-2-3-5/h5-6H,2-3H2,1H3,(H,9,11)(H,12,13)
InChIKeyJTEUEHRMZWWLLN-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.12
Rot. Bonds4

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

2-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetic acid (PubChem CID 65209820) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetic acid
PubChem CID65209820
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name2-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetic acid
SMILESCc1nnc(NC(C(=O)O)C2CC2)s1
InChIInChI=1S/C8H11N3O2S/c1-4-10-11-8(14-4)9-6(7(12)13)5-2-3-5/h5-6H,2-3H2,1H3,(H,9,11)(H,12,13)
InChIKeyJTEUEHRMZWWLLN-UHFFFAOYSA-N
XLogP1.12
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetic acid (CID 65209820) is 2-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetic acid is Cc1nnc(NC(C(=O)O)C2CC2)s1.
What is the InChIKey of 2-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetic acid?
The InChIKey is JTEUEHRMZWWLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-4-10-11-8(14-4)9-6(7(12)13)5-2-3-5/h5-6H,2-3H2,1H3,(H,9,11)(H,12,13).
What are the key properties of 2-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetic acid?
2-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetic acid has a molecular weight of 213.26 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetic acid is sourced from PubChem (CID 65209820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).