cis-(1S,3R)-3-(1,2,5-thiadiazole-3-carbonylamino)cyclopentane-1-carboxylic acid

C9H11N3O3S — CID 120675557

IUPACcis-(1S,3R)-3-(1,2,5-thiadiazole-3-carbonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(N[C@@H]1CC[C@H](C(=O)O)C1)c1cnsn1
InChIInChI=1S/C9H11N3O3S/c13-8(7-4-10-16-12-7)11-6-2-1-5(3-6)9(14)15/h4-6H,1-3H2,(H,11,13)(H,14,15)/t5-,6+/m0/s1
InChIKeyRRTFDJGFLXFHND-NTSWFWBYSA-N
MW241.27 g/mol
LogP0.52
Rot. Bonds3

About cis-(1S,3R)-3-(1,2,5-thiadiazole-3-carbonylamino)cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-(1,2,5-thiadiazole-3-carbonylamino)cyclopentane-1-carboxylic acid (PubChem CID 120675557) has the molecular formula C9H11N3O3S and a molecular weight of 241.27 g/mol. Its IUPAC name is cis-(1S,3R)-3-(1,2,5-thiadiazole-3-carbonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-(1,2,5-thiadiazole-3-carbonylamino)cyclopentane-1-carboxylic acid
PubChem CID120675557
Molecular FormulaC9H11N3O3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Namecis-(1S,3R)-3-(1,2,5-thiadiazole-3-carbonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(N[C@@H]1CC[C@H](C(=O)O)C1)c1cnsn1
InChIInChI=1S/C9H11N3O3S/c13-8(7-4-10-16-12-7)11-6-2-1-5(3-6)9(14)15/h4-6H,1-3H2,(H,11,13)(H,14,15)/t5-,6+/m0/s1
InChIKeyRRTFDJGFLXFHND-NTSWFWBYSA-N
XLogP0.52
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,2,5-thiadiazole-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 60807914
N-cyclopropyl-1,2,5-thiadiazole-3-carboxamide
CID 60858227
N-[(3R)-pyrrolidin-3-yl]-1,2,5-thiadiazole-3-carboxamide
CID 79685297
3-(pyrazine-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 66032324
cis-(1R,3S)-3-[(6-chloropyrazine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106321292
cis-(1R,3S)-3-[(5-fluoropyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106320712
cis-(1R,3S)-3-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 106321029
cis-(1S,3R)-3-[(2-phenyltriazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120674958
N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,2,5-thiadiazole-3-carboxamide
CID 124590300
cis-(1R,3S)-3-[(2,6-dihydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106319993
3-[(2,6-dihydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 107688102
cis-(1S,3R)-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97318338

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-(1,2,5-thiadiazole-3-carbonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-(1,2,5-thiadiazole-3-carbonylamino)cyclopentane-1-carboxylic acid (CID 120675557) is cis-(1S,3R)-3-(1,2,5-thiadiazole-3-carbonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-(1,2,5-thiadiazole-3-carbonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-(1,2,5-thiadiazole-3-carbonylamino)cyclopentane-1-carboxylic acid is O=C(N[C@@H]1CC[C@H](C(=O)O)C1)c1cnsn1.
What is the InChIKey of cis-(1S,3R)-3-(1,2,5-thiadiazole-3-carbonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is RRTFDJGFLXFHND-NTSWFWBYSA-N. The full InChI is InChI=1S/C9H11N3O3S/c13-8(7-4-10-16-12-7)11-6-2-1-5(3-6)9(14)15/h4-6H,1-3H2,(H,11,13)(H,14,15)/t5-,6+/m0/s1.
What are the key properties of cis-(1S,3R)-3-(1,2,5-thiadiazole-3-carbonylamino)cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-(1,2,5-thiadiazole-3-carbonylamino)cyclopentane-1-carboxylic acid has a molecular weight of 241.27 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-(1,2,5-thiadiazole-3-carbonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120675557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).