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

C7H10N4O3S — CID 65209699

IUPAC2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetyl]amino]acetic acid
SMILESCc1nnc(NCC(=O)NCC(=O)O)s1
InChIInChI=1S/C7H10N4O3S/c1-4-10-11-7(15-4)9-2-5(12)8-3-6(13)14/h2-3H2,1H3,(H,8,12)(H,9,11)(H,13,14)
InChIKeyMJZQZBGXEHPJFI-UHFFFAOYSA-N
MW230.25 g/mol
LogP-0.54
Rot. Bonds5

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

2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetyl]amino]acetic acid (PubChem CID 65209699) has the molecular formula C7H10N4O3S and a molecular weight of 230.25 g/mol. Its IUPAC name is 2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetyl]amino]acetic acid
PubChem CID65209699
Molecular FormulaC7H10N4O3S
Molecular Weight230.25 g/mol
Exact Mass230.05
IUPAC Name2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetyl]amino]acetic acid
SMILESCc1nnc(NCC(=O)NCC(=O)O)s1
InChIInChI=1S/C7H10N4O3S/c1-4-10-11-7(15-4)9-2-5(12)8-3-6(13)14/h2-3H2,1H3,(H,8,12)(H,9,11)(H,13,14)
InChIKeyMJZQZBGXEHPJFI-UHFFFAOYSA-N
XLogP-0.54
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetyl]amino]acetic acid (CID 65209699) is 2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetyl]amino]acetic acid is Cc1nnc(NCC(=O)NCC(=O)O)s1.
What is the InChIKey of 2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetyl]amino]acetic acid?
The InChIKey is MJZQZBGXEHPJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3S/c1-4-10-11-7(15-4)9-2-5(12)8-3-6(13)14/h2-3H2,1H3,(H,8,12)(H,9,11)(H,13,14).
What are the key properties of 2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetyl]amino]acetic acid?
2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetyl]amino]acetic acid has a molecular weight of 230.25 g/mol, XLogP of -0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 65209699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).