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

C12H17N3O2S — CID 65273369

IUPAC2-[cyclopentyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
SMILESO=C(O)CN(c1nc(C2CC2)ns1)C1CCCC1
InChIInChI=1S/C12H17N3O2S/c16-10(17)7-15(9-3-1-2-4-9)12-13-11(14-18-12)8-5-6-8/h8-9H,1-7H2,(H,16,17)
InChIKeyLXYKXONADJNHHS-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.25
Rot. Bonds5

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

2-[cyclopentyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]acetic acid (PubChem CID 65273369) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-[cyclopentyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
PubChem CID65273369
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name2-[cyclopentyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
SMILESO=C(O)CN(c1nc(C2CC2)ns1)C1CCCC1
InChIInChI=1S/C12H17N3O2S/c16-10(17)7-15(9-3-1-2-4-9)12-13-11(14-18-12)8-5-6-8/h8-9H,1-7H2,(H,16,17)
InChIKeyLXYKXONADJNHHS-UHFFFAOYSA-N
XLogP2.25
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258561
2-[Cyclopropylmethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
CID 107304274
2-[Cyclopentyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
CID 107304280
2-[Cyclopropylmethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
CID 65267778
2-[Cyclopentyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
CID 65267950
2-[Cyclopropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
CID 65267951
2-[Butan-2-yl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
CID 65267952
2-[2-Methylpropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
CID 65267954
2-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]acetic acid
CID 65270101
2-[2-Methylpropyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
CID 65270103
2-[2-Methylpropyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetic acid
CID 65270104
2-[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]acetic acid
CID 65270153

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]acetic acid (CID 65273369) is 2-[cyclopentyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]acetic acid is O=C(O)CN(c1nc(C2CC2)ns1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]acetic acid?
The InChIKey is LXYKXONADJNHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c16-10(17)7-15(9-3-1-2-4-9)12-13-11(14-18-12)8-5-6-8/h8-9H,1-7H2,(H,16,17).
What are the key properties of 2-[cyclopentyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]acetic acid?
2-[cyclopentyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]acetic acid has a molecular weight of 267.35 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]acetic acid is sourced from PubChem (CID 65273369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).