2-[(2-amino-2-oxoethyl)-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid

C8H11N5O4S — CID 107439338

IUPAC2-[(2-amino-2-oxoethyl)-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid
SMILESCc1nnc(NC(=O)N(CC(N)=O)CC(=O)O)s1
InChIInChI=1S/C8H11N5O4S/c1-4-11-12-7(18-4)10-8(17)13(2-5(9)14)3-6(15)16/h2-3H2,1H3,(H2,9,14)(H,15,16)(H,10,12,17)
InChIKeyDTJUGFPNYANLBW-UHFFFAOYSA-N
MW273.27 g/mol
LogP-0.75
Rot. Bonds5

About 2-[(2-amino-2-oxoethyl)-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid (PubChem CID 107439338) has the molecular formula C8H11N5O4S and a molecular weight of 273.27 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid
PubChem CID107439338
Molecular FormulaC8H11N5O4S
Molecular Weight273.27 g/mol
Exact Mass273.05
IUPAC Name2-[(2-amino-2-oxoethyl)-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid
SMILESCc1nnc(NC(=O)N(CC(N)=O)CC(=O)O)s1
InChIInChI=1S/C8H11N5O4S/c1-4-11-12-7(18-4)10-8(17)13(2-5(9)14)3-6(15)16/h2-3H2,1H3,(H2,9,14)(H,15,16)(H,10,12,17)
InChIKeyDTJUGFPNYANLBW-UHFFFAOYSA-N
XLogP-0.75
TPSA138.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(2-amino-2-oxoethyl)-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid (CID 107439338) is 2-[(2-amino-2-oxoethyl)-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid is Cc1nnc(NC(=O)N(CC(N)=O)CC(=O)O)s1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid?
The InChIKey is DTJUGFPNYANLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O4S/c1-4-11-12-7(18-4)10-8(17)13(2-5(9)14)3-6(15)16/h2-3H2,1H3,(H2,9,14)(H,15,16)(H,10,12,17).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid has a molecular weight of 273.27 g/mol, XLogP of -0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 107439338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).