3-[(4-propylthiadiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid

C12H17N3O3S — CID 66033078

IUPAC3-[(4-propylthiadiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCCCc1nnsc1C(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C12H17N3O3S/c1-2-3-9-10(19-15-14-9)11(16)13-8-5-4-7(6-8)12(17)18/h7-8H,2-6H2,1H3,(H,13,16)(H,17,18)
InChIKeyWFFLCJVMIIADGB-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.47
Rot. Bonds5

About 3-[(4-propylthiadiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid

3-[(4-propylthiadiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 66033078) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 3-[(4-propylthiadiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-propylthiadiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID66033078
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name3-[(4-propylthiadiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCCCc1nnsc1C(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C12H17N3O3S/c1-2-3-9-10(19-15-14-9)11(16)13-8-5-4-7(6-8)12(17)18/h7-8H,2-6H2,1H3,(H,13,16)(H,17,18)
InChIKeyWFFLCJVMIIADGB-UHFFFAOYSA-N
XLogP1.47
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(methylamino)cyclohexyl]-4-propylthiadiazole-5-carboxamide
CID 79110286
2-[(4-propylthiadiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 65205201
N-[3-(cyclopropylamino)propyl]-4-propylthiadiazole-5-carboxamide
CID 65210069
N-cyclopentyl-4-ethylthiadiazole-5-carboxamide
CID 51204913
4-ethyl-N-[4-(hydroxymethyl)cyclohexyl]thiadiazole-5-carboxamide
CID 113384238
N-[1-(cyanomethyl)piperidin-4-yl]-4-propylthiadiazole-5-carboxamide
CID 65205676
N-(2-bromocyclopentyl)-4-propylthiadiazole-5-carboxamide
CID 80662634
1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 65206261
4-ethyl-N-(1-ethylpiperidin-4-yl)thiadiazole-5-carboxamide
CID 30768347
N-(2-cyanocyclopentyl)-4-propylthiadiazole-5-carboxamide
CID 65205264
2-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic acid
CID 65205844
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 3-[(4-propylthiadiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(4-propylthiadiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 66033078) is 3-[(4-propylthiadiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(4-propylthiadiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(4-propylthiadiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid is CCCc1nnsc1C(=O)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-[(4-propylthiadiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is WFFLCJVMIIADGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-2-3-9-10(19-15-14-9)11(16)13-8-5-4-7(6-8)12(17)18/h7-8H,2-6H2,1H3,(H,13,16)(H,17,18).
What are the key properties of 3-[(4-propylthiadiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
3-[(4-propylthiadiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 283.35 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propylthiadiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66033078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).