2-[(4-propylthiadiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid

C12H17N3O3S — CID 65205201

IUPAC2-[(4-propylthiadiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCCCc1nnsc1C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C12H17N3O3S/c1-2-4-9-10(19-15-14-9)11(16)13-8-6-3-5-7(8)12(17)18/h7-8H,2-6H2,1H3,(H,13,16)(H,17,18)
InChIKeyQAQTVOMIIPOKJI-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.47
Rot. Bonds5

About 2-[(4-propylthiadiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid

2-[(4-propylthiadiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 65205201) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-[(4-propylthiadiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-propylthiadiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID65205201
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name2-[(4-propylthiadiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCCCc1nnsc1C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C12H17N3O3S/c1-2-4-9-10(19-15-14-9)11(16)13-8-6-3-5-7(8)12(17)18/h7-8H,2-6H2,1H3,(H,13,16)(H,17,18)
InChIKeyQAQTVOMIIPOKJI-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-(2-bromocyclopentyl)-4-propylthiadiazole-5-carboxamide
CID 80662634
N-(2-cyanocyclopentyl)-4-propylthiadiazole-5-carboxamide
CID 65205264
3-[(4-propylthiadiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66033078
N-(2-aminocyclopentyl)-4-ethylthiadiazole-5-carboxamide
CID 65210234
N-[4-(methylamino)cyclohexyl]-4-propylthiadiazole-5-carboxamide
CID 79110286
cyclobutyl-(4-propylthiadiazol-5-yl)methanone
CID 105133689
N-cyclopentyl-4-ethylthiadiazole-5-carboxamide
CID 51204913
2-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic acid
CID 65205844
N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-propylthiadiazole-5-carboxamide
CID 91789321
cis-(1R,2S)-2-[(3-ethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 97031564
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64812677
N-[1-(cyanomethyl)piperidin-4-yl]-4-propylthiadiazole-5-carboxamide
CID 65205676

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propylthiadiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(4-propylthiadiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 65205201) is 2-[(4-propylthiadiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-propylthiadiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(4-propylthiadiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid is CCCc1nnsc1C(=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[(4-propylthiadiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is QAQTVOMIIPOKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-2-4-9-10(19-15-14-9)11(16)13-8-6-3-5-7(8)12(17)18/h7-8H,2-6H2,1H3,(H,13,16)(H,17,18).
What are the key properties of 2-[(4-propylthiadiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
2-[(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 2-[(4-propylthiadiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 65205201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).