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

C9H13N3O2S — CID 65273556

IUPAC2-[cyclopropyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
SMILESCCc1nsc(N(CC(=O)O)C2CC2)n1
InChIInChI=1S/C9H13N3O2S/c1-2-7-10-9(15-11-7)12(5-8(13)14)6-3-4-6/h6H,2-5H2,1H3,(H,13,14)
InChIKeyQFPWNIHCNMQPBP-UHFFFAOYSA-N
MW227.29 g/mol
LogP1.15
Rot. Bonds5

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

2-[cyclopropyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]acetic acid (PubChem CID 65273556) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 2-[cyclopropyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
PubChem CID65273556
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name2-[cyclopropyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
SMILESCCc1nsc(N(CC(=O)O)C2CC2)n1
InChIInChI=1S/C9H13N3O2S/c1-2-7-10-9(15-11-7)12(5-8(13)14)6-3-4-6/h6H,2-5H2,1H3,(H,13,14)
InChIKeyQFPWNIHCNMQPBP-UHFFFAOYSA-N
XLogP1.15
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]acetic acid (CID 65273556) is 2-[cyclopropyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]acetic acid is CCc1nsc(N(CC(=O)O)C2CC2)n1.
What is the InChIKey of 2-[cyclopropyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]acetic acid?
The InChIKey is QFPWNIHCNMQPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-2-7-10-9(15-11-7)12(5-8(13)14)6-3-4-6/h6H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-[cyclopropyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]acetic acid?
2-[cyclopropyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]acetic acid has a molecular weight of 227.29 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]acetic acid is sourced from PubChem (CID 65273556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).