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

C7H10N4O3S — CID 61192478

IUPAC2-[ethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)Nc1nncs1
InChIInChI=1S/C7H10N4O3S/c1-2-11(3-5(12)13)7(14)9-6-10-8-4-15-6/h4H,2-3H2,1H3,(H,12,13)(H,9,10,14)
InChIKeyTUMDIVNIIODCSP-UHFFFAOYSA-N
MW230.25 g/mol
LogP0.48
Rot. Bonds4

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

2-[ethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid (PubChem CID 61192478) has the molecular formula C7H10N4O3S and a molecular weight of 230.25 g/mol. Its IUPAC name is 2-[ethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
PubChem CID61192478
Molecular FormulaC7H10N4O3S
Molecular Weight230.25 g/mol
Exact Mass230.05
IUPAC Name2-[ethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)Nc1nncs1
InChIInChI=1S/C7H10N4O3S/c1-2-11(3-5(12)13)7(14)9-6-10-8-4-15-6/h4H,2-3H2,1H3,(H,12,13)(H,9,10,14)
InChIKeyTUMDIVNIIODCSP-UHFFFAOYSA-N
XLogP0.48
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1,3,4-Thiadiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258122
2-[Methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
CID 43135652
Ethyl 2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetate
CID 43385190
2-(1,3,4-Thiadiazol-2-ylcarbamoylamino)acetic acid
CID 43445732
2-[Cyclopropylmethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
CID 43655646
2-[Ethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]-2-methylpropanoic acid
CID 55123987
2-[2-Methylpropyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
CID 55147440
2-[Cyclopentyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
CID 61192145
2-[Butan-2-yl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
CID 61192256
2-(1,3,4-Thiadiazol-2-ylcarbamoylamino)butanoic acid
CID 61192362
2-[[2-(1,3,4-Thiadiazol-2-ylcarbamoylamino)acetyl]amino]acetic acid
CID 61192364
2-[4-(1,3,4-Thiadiazol-2-ylcarbamoyl)piperazin-1-yl]acetic acid
CID 61192473

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[ethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid (CID 61192478) is 2-[ethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid is CCN(CC(=O)O)C(=O)Nc1nncs1.
What is the InChIKey of 2-[ethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid?
The InChIKey is TUMDIVNIIODCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3S/c1-2-11(3-5(12)13)7(14)9-6-10-8-4-15-6/h4H,2-3H2,1H3,(H,12,13)(H,9,10,14).
What are the key properties of 2-[ethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid?
2-[ethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid has a molecular weight of 230.25 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 61192478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).