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

C10H16N4O3S — CID 107642456

IUPAC2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)Nc1nnc(CC)s1
InChIInChI=1S/C10H16N4O3S/c1-3-5-14(6-8(15)16)10(17)11-9-13-12-7(4-2)18-9/h3-6H2,1-2H3,(H,15,16)(H,11,13,17)
InChIKeyVANIAYMAXBEUIW-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.43
Rot. Bonds6

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

2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl-propylamino]acetic acid (PubChem CID 107642456) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl-propylamino]acetic acid
PubChem CID107642456
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC Name2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)Nc1nnc(CC)s1
InChIInChI=1S/C10H16N4O3S/c1-3-5-14(6-8(15)16)10(17)11-9-13-12-7(4-2)18-9/h3-6H2,1-2H3,(H,15,16)(H,11,13,17)
InChIKeyVANIAYMAXBEUIW-UHFFFAOYSA-N
XLogP1.43
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl-propylamino]acetic acid?
The IUPAC name of 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl-propylamino]acetic acid (CID 107642456) is 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl-propylamino]acetic acid.
What is the SMILES notation for 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl-propylamino]acetic acid?
The canonical SMILES for 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)Nc1nnc(CC)s1.
What is the InChIKey of 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl-propylamino]acetic acid?
The InChIKey is VANIAYMAXBEUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c1-3-5-14(6-8(15)16)10(17)11-9-13-12-7(4-2)18-9/h3-6H2,1-2H3,(H,15,16)(H,11,13,17).
What are the key properties of 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl-propylamino]acetic acid?
2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl-propylamino]acetic acid has a molecular weight of 272.33 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl-propylamino]acetic acid is sourced from PubChem (CID 107642456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).