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

C10H15N3O2S — CID 65267548

IUPAC2-[1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]acetic acid
SMILESCc1nsc(NC2(CC(=O)O)CCCC2)n1
InChIInChI=1S/C10H15N3O2S/c1-7-11-9(16-13-7)12-10(6-8(14)15)4-2-3-5-10/h2-6H2,1H3,(H,14,15)(H,11,12,13)
InChIKeyBMTDTDBPXDNONL-UHFFFAOYSA-N
MW241.32 g/mol
LogP2.05
Rot. Bonds4

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

2-[1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]acetic acid (PubChem CID 65267548) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-[1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]acetic acid
PubChem CID65267548
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name2-[1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]acetic acid
SMILESCc1nsc(NC2(CC(=O)O)CCCC2)n1
InChIInChI=1S/C10H15N3O2S/c1-7-11-9(16-13-7)12-10(6-8(14)15)4-2-3-5-10/h2-6H2,1H3,(H,14,15)(H,11,12,13)
InChIKeyBMTDTDBPXDNONL-UHFFFAOYSA-N
XLogP2.05
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]acetic acid (CID 65267548) is 2-[1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]acetic acid is Cc1nsc(NC2(CC(=O)O)CCCC2)n1.
What is the InChIKey of 2-[1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]acetic acid?
The InChIKey is BMTDTDBPXDNONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-7-11-9(16-13-7)12-10(6-8(14)15)4-2-3-5-10/h2-6H2,1H3,(H,14,15)(H,11,12,13).
What are the key properties of 2-[1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]acetic acid?
2-[1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]acetic acid has a molecular weight of 241.32 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]acetic acid is sourced from PubChem (CID 65267548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).