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

C11H17N3O2S — CID 126600008

IUPAC2-[(1S,3R)-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]acetic acid
SMILESCCNc1nnc([C@@H]2CC[C@H](CC(=O)O)C2)s1
InChIInChI=1S/C11H17N3O2S/c1-2-12-11-14-13-10(17-11)8-4-3-7(5-8)6-9(15)16/h7-8H,2-6H2,1H3,(H,12,14)(H,15,16)/t7-,8+/m0/s1
InChIKeySZJIKMXRIOYDDP-JGVFFNPUSA-N
MW255.34 g/mol
LogP2.33
Rot. Bonds5

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

2-[(1S,3R)-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]acetic acid (PubChem CID 126600008) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-[(1S,3R)-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(1S,3R)-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]acetic acid
PubChem CID126600008
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-[(1S,3R)-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]acetic acid
SMILESCCNc1nnc([C@@H]2CC[C@H](CC(=O)O)C2)s1
InChIInChI=1S/C11H17N3O2S/c1-2-12-11-14-13-10(17-11)8-4-3-7(5-8)6-9(15)16/h7-8H,2-6H2,1H3,(H,12,14)(H,15,16)/t7-,8+/m0/s1
InChIKeySZJIKMXRIOYDDP-JGVFFNPUSA-N
XLogP2.33
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,3R)-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]acetic acid?
The IUPAC name of 2-[(1S,3R)-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]acetic acid (CID 126600008) is 2-[(1S,3R)-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[(1S,3R)-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[(1S,3R)-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]acetic acid is CCNc1nnc([C@@H]2CC[C@H](CC(=O)O)C2)s1.
What is the InChIKey of 2-[(1S,3R)-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]acetic acid?
The InChIKey is SZJIKMXRIOYDDP-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-2-12-11-14-13-10(17-11)8-4-3-7(5-8)6-9(15)16/h7-8H,2-6H2,1H3,(H,12,14)(H,15,16)/t7-,8+/m0/s1.
What are the key properties of 2-[(1S,3R)-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]acetic acid?
2-[(1S,3R)-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]acetic acid has a molecular weight of 255.34 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,3R)-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]acetic acid is sourced from PubChem (CID 126600008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).