2-[3-(1,3,4-thiadiazol-2-ylamino)cyclopentyl]acetic acid

C9H13N3O2S — CID 130643798

IUPAC2-[3-(1,3,4-thiadiazol-2-ylamino)cyclopentyl]acetic acid
SMILESO=C(O)CC1CCC(Nc2nncs2)C1
InChIInChI=1S/C9H13N3O2S/c13-8(14)4-6-1-2-7(3-6)11-9-12-10-5-15-9/h5-7H,1-4H2,(H,11,12)(H,13,14)
InChIKeyCZAPYRNBNBYFOI-UHFFFAOYSA-N
MW227.29 g/mol
LogP1.59
Rot. Bonds4

About 2-[3-(1,3,4-thiadiazol-2-ylamino)cyclopentyl]acetic acid

2-[3-(1,3,4-thiadiazol-2-ylamino)cyclopentyl]acetic acid (PubChem CID 130643798) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 2-[3-(1,3,4-thiadiazol-2-ylamino)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[3-(1,3,4-thiadiazol-2-ylamino)cyclopentyl]acetic acid
PubChem CID130643798
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name2-[3-(1,3,4-thiadiazol-2-ylamino)cyclopentyl]acetic acid
SMILESO=C(O)CC1CCC(Nc2nncs2)C1
InChIInChI=1S/C9H13N3O2S/c13-8(14)4-6-1-2-7(3-6)11-9-12-10-5-15-9/h5-7H,1-4H2,(H,11,12)(H,13,14)
InChIKeyCZAPYRNBNBYFOI-UHFFFAOYSA-N
XLogP1.59
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3,4-thiadiazol-2-ylamino)cyclopentyl]acetic acid?
The IUPAC name of 2-[3-(1,3,4-thiadiazol-2-ylamino)cyclopentyl]acetic acid (CID 130643798) is 2-[3-(1,3,4-thiadiazol-2-ylamino)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[3-(1,3,4-thiadiazol-2-ylamino)cyclopentyl]acetic acid?
The canonical SMILES for 2-[3-(1,3,4-thiadiazol-2-ylamino)cyclopentyl]acetic acid is O=C(O)CC1CCC(Nc2nncs2)C1.
What is the InChIKey of 2-[3-(1,3,4-thiadiazol-2-ylamino)cyclopentyl]acetic acid?
The InChIKey is CZAPYRNBNBYFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c13-8(14)4-6-1-2-7(3-6)11-9-12-10-5-15-9/h5-7H,1-4H2,(H,11,12)(H,13,14).
What are the key properties of 2-[3-(1,3,4-thiadiazol-2-ylamino)cyclopentyl]acetic acid?
2-[3-(1,3,4-thiadiazol-2-ylamino)cyclopentyl]acetic acid has a molecular weight of 227.29 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3,4-thiadiazol-2-ylamino)cyclopentyl]acetic acid is sourced from PubChem (CID 130643798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).