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

C10H15N3O2S — CID 65273496

IUPAC2-[cyclopropyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
SMILESCCCc1nsc(N(CC(=O)O)C2CC2)n1
InChIInChI=1S/C10H15N3O2S/c1-2-3-8-11-10(16-12-8)13(6-9(14)15)7-4-5-7/h7H,2-6H2,1H3,(H,14,15)
InChIKeyWDAKXDVYAMHSAC-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.54
Rot. Bonds6

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

2-[cyclopropyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetic acid (PubChem CID 65273496) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-[cyclopropyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
PubChem CID65273496
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name2-[cyclopropyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
SMILESCCCc1nsc(N(CC(=O)O)C2CC2)n1
InChIInChI=1S/C10H15N3O2S/c1-2-3-8-11-10(16-12-8)13(6-9(14)15)7-4-5-7/h7H,2-6H2,1H3,(H,14,15)
InChIKeyWDAKXDVYAMHSAC-UHFFFAOYSA-N
XLogP1.54
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetic acid (CID 65273496) is 2-[cyclopropyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetic acid is CCCc1nsc(N(CC(=O)O)C2CC2)n1.
What is the InChIKey of 2-[cyclopropyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetic acid?
The InChIKey is WDAKXDVYAMHSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-2-3-8-11-10(16-12-8)13(6-9(14)15)7-4-5-7/h7H,2-6H2,1H3,(H,14,15).
What are the key properties of 2-[cyclopropyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetic acid?
2-[cyclopropyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetic acid has a molecular weight of 241.32 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetic acid is sourced from PubChem (CID 65273496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).