cis-(1R,2S)-4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid

C11H15N3O3S — CID 114093033

IUPACcis-(1R,2S)-4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCc1nsc(NC(=O)[C@H]2CC(C)C[C@H]2C(=O)O)n1
InChIInChI=1S/C11H15N3O3S/c1-5-3-7(8(4-5)10(16)17)9(15)13-11-12-6(2)14-18-11/h5,7-8H,3-4H2,1-2H3,(H,16,17)(H,12,13,14,15)/t5?,7-,8+/m0/s1
InChIKeyJKASHGFNHGMNKX-AKHXFSBVSA-N
MW269.33 g/mol
LogP1.53
Rot. Bonds3

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

cis-(1R,2S)-4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 114093033) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is cis-(1R,2S)-4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID114093033
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Namecis-(1R,2S)-4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCc1nsc(NC(=O)[C@H]2CC(C)C[C@H]2C(=O)O)n1
InChIInChI=1S/C11H15N3O3S/c1-5-3-7(8(4-5)10(16)17)9(15)13-11-12-6(2)14-18-11/h5,7-8H,3-4H2,1-2H3,(H,16,17)(H,12,13,14,15)/t5?,7-,8+/m0/s1
InChIKeyJKASHGFNHGMNKX-AKHXFSBVSA-N
XLogP1.53
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze cis-(1R,2S)-4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

4-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxamide
CID 114424594
2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 61464445
4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114391404
4-methyl-2-(thiadiazol-5-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114911800
4-methyl-2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390370
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
3-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxamide
CID 107068626
2-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114391107
4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390455
(2S)-1-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 104874322
1-cyclopentyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea
CID 104700593

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid (CID 114093033) is cis-(1R,2S)-4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid is Cc1nsc(NC(=O)[C@H]2CC(C)C[C@H]2C(=O)O)n1.
What is the InChIKey of cis-(1R,2S)-4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is JKASHGFNHGMNKX-AKHXFSBVSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-5-3-7(8(4-5)10(16)17)9(15)13-11-12-6(2)14-18-11/h5,7-8H,3-4H2,1-2H3,(H,16,17)(H,12,13,14,15)/t5?,7-,8+/m0/s1.
What are the key properties of cis-(1R,2S)-4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid?
cis-(1R,2S)-4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 269.33 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114093033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).