2-[butan-2-yl(thiadiazole-4-carbonyl)amino]acetic acid

C9H13N3O3S — CID 65214238

IUPAC2-[butan-2-yl(thiadiazole-4-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1csnn1
InChIInChI=1S/C9H13N3O3S/c1-3-6(2)12(4-8(13)14)9(15)7-5-16-11-10-7/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyOAPCQSFNGFOEFV-UHFFFAOYSA-N
MW243.29 g/mol
LogP0.86
Rot. Bonds5

About 2-[butan-2-yl(thiadiazole-4-carbonyl)amino]acetic acid

2-[butan-2-yl(thiadiazole-4-carbonyl)amino]acetic acid (PubChem CID 65214238) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-[butan-2-yl(thiadiazole-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl(thiadiazole-4-carbonyl)amino]acetic acid
PubChem CID65214238
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name2-[butan-2-yl(thiadiazole-4-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1csnn1
InChIInChI=1S/C9H13N3O3S/c1-3-6(2)12(4-8(13)14)9(15)7-5-16-11-10-7/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyOAPCQSFNGFOEFV-UHFFFAOYSA-N
XLogP0.86
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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-[butan-2-yl(thiadiazole-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl(thiadiazole-4-carbonyl)amino]acetic acid (CID 65214238) is 2-[butan-2-yl(thiadiazole-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl(thiadiazole-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl(thiadiazole-4-carbonyl)amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)c1csnn1.
What is the InChIKey of 2-[butan-2-yl(thiadiazole-4-carbonyl)amino]acetic acid?
The InChIKey is OAPCQSFNGFOEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-3-6(2)12(4-8(13)14)9(15)7-5-16-11-10-7/h5-6H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 2-[butan-2-yl(thiadiazole-4-carbonyl)amino]acetic acid?
2-[butan-2-yl(thiadiazole-4-carbonyl)amino]acetic acid has a molecular weight of 243.29 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(thiadiazole-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 65214238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).