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

C10H14N4O3S — CID 61192145

IUPAC2-[cyclopentyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)Nc1nncs1)C1CCCC1
InChIInChI=1S/C10H14N4O3S/c15-8(16)5-14(7-3-1-2-4-7)10(17)12-9-13-11-6-18-9/h6-7H,1-5H2,(H,15,16)(H,12,13,17)
InChIKeyREOJAOOEYYJNBZ-UHFFFAOYSA-N
MW270.31 g/mol
LogP1.40
Rot. Bonds4

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

2-[cyclopentyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid (PubChem CID 61192145) has the molecular formula C10H14N4O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-[cyclopentyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
PubChem CID61192145
Molecular FormulaC10H14N4O3S
Molecular Weight270.31 g/mol
Exact Mass270.08
IUPAC Name2-[cyclopentyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)Nc1nncs1)C1CCCC1
InChIInChI=1S/C10H14N4O3S/c15-8(16)5-14(7-3-1-2-4-7)10(17)12-9-13-11-6-18-9/h6-7H,1-5H2,(H,15,16)(H,12,13,17)
InChIKeyREOJAOOEYYJNBZ-UHFFFAOYSA-N
XLogP1.40
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid (CID 61192145) is 2-[cyclopentyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid is O=C(O)CN(C(=O)Nc1nncs1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid?
The InChIKey is REOJAOOEYYJNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S/c15-8(16)5-14(7-3-1-2-4-7)10(17)12-9-13-11-6-18-9/h6-7H,1-5H2,(H,15,16)(H,12,13,17).
What are the key properties of 2-[cyclopentyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid?
2-[cyclopentyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid has a molecular weight of 270.31 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 61192145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).