2-[tert-butyl(thiadiazole-5-carbonyl)amino]acetic acid

C9H13N3O3S — CID 79266238

IUPAC2-[tert-butyl(thiadiazole-5-carbonyl)amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)c1cnns1
InChIInChI=1S/C9H13N3O3S/c1-9(2,3)12(5-7(13)14)8(15)6-4-10-11-16-6/h4H,5H2,1-3H3,(H,13,14)
InChIKeyMKWNYZSASRRSST-UHFFFAOYSA-N
MW243.29 g/mol
LogP0.86
Rot. Bonds3

About 2-[tert-butyl(thiadiazole-5-carbonyl)amino]acetic acid

2-[tert-butyl(thiadiazole-5-carbonyl)amino]acetic acid (PubChem CID 79266238) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-[tert-butyl(thiadiazole-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl(thiadiazole-5-carbonyl)amino]acetic acid
PubChem CID79266238
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name2-[tert-butyl(thiadiazole-5-carbonyl)amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)c1cnns1
InChIInChI=1S/C9H13N3O3S/c1-9(2,3)12(5-7(13)14)8(15)6-4-10-11-16-6/h4H,5H2,1-3H3,(H,13,14)
InChIKeyMKWNYZSASRRSST-UHFFFAOYSA-N
XLogP0.86
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(thiadiazole-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[tert-butyl(thiadiazole-5-carbonyl)amino]acetic acid (CID 79266238) is 2-[tert-butyl(thiadiazole-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl(thiadiazole-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[tert-butyl(thiadiazole-5-carbonyl)amino]acetic acid is CC(C)(C)N(CC(=O)O)C(=O)c1cnns1.
What is the InChIKey of 2-[tert-butyl(thiadiazole-5-carbonyl)amino]acetic acid?
The InChIKey is MKWNYZSASRRSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-9(2,3)12(5-7(13)14)8(15)6-4-10-11-16-6/h4H,5H2,1-3H3,(H,13,14).
What are the key properties of 2-[tert-butyl(thiadiazole-5-carbonyl)amino]acetic acid?
2-[tert-butyl(thiadiazole-5-carbonyl)amino]acetic acid has a molecular weight of 243.29 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(thiadiazole-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 79266238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).