2-[cyclopropyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid

C8H10N4O3S — CID 61193496

IUPAC2-[cyclopropyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)Nc1nncs1)C1CC1
InChIInChI=1S/C8H10N4O3S/c13-6(14)3-12(5-1-2-5)8(15)10-7-11-9-4-16-7/h4-5H,1-3H2,(H,13,14)(H,10,11,15)
InChIKeyFWAUIWREQSFHNH-UHFFFAOYSA-N
MW242.26 g/mol
LogP0.62
Rot. Bonds4

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

2-[cyclopropyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid (PubChem CID 61193496) has the molecular formula C8H10N4O3S and a molecular weight of 242.26 g/mol. Its IUPAC name is 2-[cyclopropyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
PubChem CID61193496
Molecular FormulaC8H10N4O3S
Molecular Weight242.26 g/mol
Exact Mass242.05
IUPAC Name2-[cyclopropyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)Nc1nncs1)C1CC1
InChIInChI=1S/C8H10N4O3S/c13-6(14)3-12(5-1-2-5)8(15)10-7-11-9-4-16-7/h4-5H,1-3H2,(H,13,14)(H,10,11,15)
InChIKeyFWAUIWREQSFHNH-UHFFFAOYSA-N
XLogP0.62
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid (CID 61193496) is 2-[cyclopropyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid is O=C(O)CN(C(=O)Nc1nncs1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid?
The InChIKey is FWAUIWREQSFHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3S/c13-6(14)3-12(5-1-2-5)8(15)10-7-11-9-4-16-7/h4-5H,1-3H2,(H,13,14)(H,10,11,15).
What are the key properties of 2-[cyclopropyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid?
2-[cyclopropyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid has a molecular weight of 242.26 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 61193496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).