cis-(1R,2S)-2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]cyclopentane-1-carboxylic acid

C12H19N3O2S — CID 164636950

About cis-(1R,2S)-2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]cyclopentane-1-carboxylic acid

cis-(1R,2S)-2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]cyclopentane-1-carboxylic acid (PubChem CID 164636950) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

• Compound Name: cis-(1R,2S)-2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]cyclopentane-1-carboxylic acid
• PubChem CID: 164636950
• Molecular Formula: C12H19N3O2S
• Molecular Weight: 269.37 g/mol
• Exact Mass: 269.12
• IUPAC Name: cis-(1R,2S)-2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]cyclopentane-1-carboxylic acid
• SMILES: CC(C)(C)c1nsc(N[C@H]2CCC[C@H]2C(=O)O)n1
• InChI: InChI=1S/C12H19N3O2S/c1-12(2,3)10-14-11(18-15-10)13-8-6-4-5-7(8)9(16)17/h7-8H,4-6H2,1-3H3,(H,16,17)(H,13,14,15)/t7-,8+/m1/s1
• InChIKey: ZDMLQIMWBOGVKM-SFYZADRCSA-N
• XLogP: 2.50
• TPSA: 75.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	269.37
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]cyclopentane-1-carboxylic acid?

The IUPAC name of cis-(1R,2S)-2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]cyclopentane-1-carboxylic acid (CID 164636950) is cis-(1R,2S)-2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]cyclopentane-1-carboxylic acid.

What is the SMILES notation for cis-(1R,2S)-2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]cyclopentane-1-carboxylic acid?

The canonical SMILES for cis-(1R,2S)-2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]cyclopentane-1-carboxylic acid is CC(C)(C)c1nsc(N[C@H]2CCC[C@H]2C(=O)O)n1.

What is the InChIKey of cis-(1R,2S)-2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]cyclopentane-1-carboxylic acid?

The InChIKey is ZDMLQIMWBOGVKM-SFYZADRCSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-12(2,3)10-14-11(18-15-10)13-8-6-4-5-7(8)9(16)17/h7-8H,4-6H2,1-3H3,(H,16,17)(H,13,14,15)/t7-,8+/m1/s1.

What are the key properties of cis-(1R,2S)-2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]cyclopentane-1-carboxylic acid?

cis-(1R,2S)-2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 269.37 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,2S)-2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 164636950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).