4-methyl-2-(thiadiazol-5-ylcarbamoyl)cyclopentane-1-carboxylic acid

C10H13N3O3S — CID 114911800

IUPAC4-methyl-2-(thiadiazol-5-ylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)Nc2cnns2)C1
InChIInChI=1S/C10H13N3O3S/c1-5-2-6(7(3-5)10(15)16)9(14)12-8-4-11-13-17-8/h4-7H,2-3H2,1H3,(H,12,14)(H,15,16)
InChIKeyWVZAKBSZHLBDIL-UHFFFAOYSA-N
MW255.30 g/mol
LogP1.22
Rot. Bonds3

About 4-methyl-2-(thiadiazol-5-ylcarbamoyl)cyclopentane-1-carboxylic acid

4-methyl-2-(thiadiazol-5-ylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 114911800) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is 4-methyl-2-(thiadiazol-5-ylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(thiadiazol-5-ylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID114911800
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name4-methyl-2-(thiadiazol-5-ylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)Nc2cnns2)C1
InChIInChI=1S/C10H13N3O3S/c1-5-2-6(7(3-5)10(15)16)9(14)12-8-4-11-13-17-8/h4-7H,2-3H2,1H3,(H,12,14)(H,15,16)
InChIKeyWVZAKBSZHLBDIL-UHFFFAOYSA-N
XLogP1.22
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-N-(thiadiazol-5-yl)cyclopropane-1-carboxamide
CID 130977857
4-methyl-2-(pyrimidin-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114391221
cis-(1R,2S)-4-methyl-2-(pyrimidin-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114092674
cis-(1R,2S)-4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114093033
4-methyl-2-(1,2-oxazol-4-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114390961
4-methyl-2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390370
4-methyl-2-[(2,4,5-trifluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390949
4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114391404
(2R)-N-(thiadiazol-5-yl)piperidine-2-carboxamide
CID 104982945
4-methyl-2-(1,3-thiazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114391406
(3S)-N-(thiadiazol-5-yl)oxane-3-carboxamide
CID 99828419
4-methyl-2-[(3-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390373

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(thiadiazol-5-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 4-methyl-2-(thiadiazol-5-ylcarbamoyl)cyclopentane-1-carboxylic acid (CID 114911800) is 4-methyl-2-(thiadiazol-5-ylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(thiadiazol-5-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-methyl-2-(thiadiazol-5-ylcarbamoyl)cyclopentane-1-carboxylic acid is CC1CC(C(=O)O)C(C(=O)Nc2cnns2)C1.
What is the InChIKey of 4-methyl-2-(thiadiazol-5-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is WVZAKBSZHLBDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-5-2-6(7(3-5)10(15)16)9(14)12-8-4-11-13-17-8/h4-7H,2-3H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 4-methyl-2-(thiadiazol-5-ylcarbamoyl)cyclopentane-1-carboxylic acid?
4-methyl-2-(thiadiazol-5-ylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 255.30 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(thiadiazol-5-ylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114911800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).