2-[cyclopropylmethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid

C9H12N4O3S — CID 43655646

IUPAC2-[cyclopropylmethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)Nc1nncs1
InChIInChI=1S/C9H12N4O3S/c14-7(15)4-13(3-6-1-2-6)9(16)11-8-12-10-5-17-8/h5-6H,1-4H2,(H,14,15)(H,11,12,16)
InChIKeyMVUXTRUHNZLVIM-UHFFFAOYSA-N
MW256.29 g/mol
LogP0.87
Rot. Bonds5

About 2-[cyclopropylmethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid

2-[cyclopropylmethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid (PubChem CID 43655646) has the molecular formula C9H12N4O3S and a molecular weight of 256.29 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
PubChem CID43655646
Molecular FormulaC9H12N4O3S
Molecular Weight256.29 g/mol
Exact Mass256.06
IUPAC Name2-[cyclopropylmethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)Nc1nncs1
InChIInChI=1S/C9H12N4O3S/c14-7(15)4-13(3-6-1-2-6)9(16)11-8-12-10-5-17-8/h5-6H,1-4H2,(H,14,15)(H,11,12,16)
InChIKeyMVUXTRUHNZLVIM-UHFFFAOYSA-N
XLogP0.87
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid (CID 43655646) is 2-[cyclopropylmethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid is O=C(O)CN(CC1CC1)C(=O)Nc1nncs1.
What is the InChIKey of 2-[cyclopropylmethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid?
The InChIKey is MVUXTRUHNZLVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3S/c14-7(15)4-13(3-6-1-2-6)9(16)11-8-12-10-5-17-8/h5-6H,1-4H2,(H,14,15)(H,11,12,16).
What are the key properties of 2-[cyclopropylmethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid?
2-[cyclopropylmethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid has a molecular weight of 256.29 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 43655646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).