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

C9H13N3O2S — CID 126600075

IUPAC2-[3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]acetic acid
SMILESNc1nnc(C2CCC(CC(=O)O)C2)s1
InChIInChI=1S/C9H13N3O2S/c10-9-12-11-8(15-9)6-2-1-5(3-6)4-7(13)14/h5-6H,1-4H2,(H2,10,12)(H,13,14)
InChIKeyGMFSNYJZXWNWPM-UHFFFAOYSA-N
MW227.29 g/mol
LogP1.48
Rot. Bonds3

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

2-[3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]acetic acid (PubChem CID 126600075) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 2-[3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]acetic acid
PubChem CID126600075
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name2-[3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]acetic acid
SMILESNc1nnc(C2CCC(CC(=O)O)C2)s1
InChIInChI=1S/C9H13N3O2S/c10-9-12-11-8(15-9)6-2-1-5(3-6)4-7(13)14/h5-6H,1-4H2,(H2,10,12)(H,13,14)
InChIKeyGMFSNYJZXWNWPM-UHFFFAOYSA-N
XLogP1.48
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-Amino-1,3,4-thiadiazol-2-yl)cyclohexanecarboxylic acid
CID 5199888
Methyl trans-4-(5-amino-1,3,4-thiadiazol-2-YL)cyclohexane-1-carboxylate
CID 59524859
Methyl 2-[3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]acetate
CID 118492545
2-[3-(5-Acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]acetic acid
CID 118492546
2-[3-[5-(Ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]acetic acid
CID 118492650
2-[(1R,3S)-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]acetic acid
CID 125470757
2-[(1S,3R)-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]acetic acid
CID 126600008
2-[(1S,3R)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]propanoic acid
CID 126600018
2-[(1R,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]propanoic acid
CID 126600019
2-[3-(5-Amino-1,3,4-thiadiazol-2-yl)cyclopentyl]propanoic acid
CID 126600020
2-[(1S,3R)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]acetic acid
CID 126600027
2-[(1R,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]acetic acid
CID 126600028

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]acetic acid?
The IUPAC name of 2-[3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]acetic acid (CID 126600075) is 2-[3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]acetic acid?
The canonical SMILES for 2-[3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]acetic acid is Nc1nnc(C2CCC(CC(=O)O)C2)s1.
What is the InChIKey of 2-[3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]acetic acid?
The InChIKey is GMFSNYJZXWNWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c10-9-12-11-8(15-9)6-2-1-5(3-6)4-7(13)14/h5-6H,1-4H2,(H2,10,12)(H,13,14).
What are the key properties of 2-[3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]acetic acid?
2-[3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]acetic acid has a molecular weight of 227.29 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]acetic acid is sourced from PubChem (CID 126600075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).