1-methyl-2-(1,2,4-thiadiazol-5-ylamino)cyclohexane-1-carboxylic acid

C10H15N3O2S — CID 83214146

IUPAC1-methyl-2-(1,2,4-thiadiazol-5-ylamino)cyclohexane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCCC1Nc1ncns1
InChIInChI=1S/C10H15N3O2S/c1-10(8(14)15)5-3-2-4-7(10)13-9-11-6-12-16-9/h6-7H,2-5H2,1H3,(H,14,15)(H,11,12,13)
InChIKeyXHYLTVLUBCHROZ-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.98
Rot. Bonds3

About 1-methyl-2-(1,2,4-thiadiazol-5-ylamino)cyclohexane-1-carboxylic acid

1-methyl-2-(1,2,4-thiadiazol-5-ylamino)cyclohexane-1-carboxylic acid (PubChem CID 83214146) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-methyl-2-(1,2,4-thiadiazol-5-ylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-(1,2,4-thiadiazol-5-ylamino)cyclohexane-1-carboxylic acid
PubChem CID83214146
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name1-methyl-2-(1,2,4-thiadiazol-5-ylamino)cyclohexane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCCC1Nc1ncns1
InChIInChI=1S/C10H15N3O2S/c1-10(8(14)15)5-3-2-4-7(10)13-9-11-6-12-16-9/h6-7H,2-5H2,1H3,(H,14,15)(H,11,12,13)
InChIKeyXHYLTVLUBCHROZ-UHFFFAOYSA-N
XLogP1.98
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid
CID 83213695
2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82763069
1-methyl-2-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclohexane-1-carboxylic acid
CID 83214229
1-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)cyclohexane-1-carboxylic acid
CID 83214302
2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83214598
1-methyl-2-(pyrazin-2-ylamino)cyclopentane-1-carboxylic acid
CID 82763215
1-methyl-2-[(4-nitro-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 83214225
1-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 136972367
2-[(3-cyano-4-methyl-2-pyridinyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83214067
1-methyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 83213984
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83209752
2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83209373

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1,2,4-thiadiazol-5-ylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-(1,2,4-thiadiazol-5-ylamino)cyclohexane-1-carboxylic acid (CID 83214146) is 1-methyl-2-(1,2,4-thiadiazol-5-ylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-(1,2,4-thiadiazol-5-ylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-(1,2,4-thiadiazol-5-ylamino)cyclohexane-1-carboxylic acid is CC1(C(=O)O)CCCCC1Nc1ncns1.
What is the InChIKey of 1-methyl-2-(1,2,4-thiadiazol-5-ylamino)cyclohexane-1-carboxylic acid?
The InChIKey is XHYLTVLUBCHROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-10(8(14)15)5-3-2-4-7(10)13-9-11-6-12-16-9/h6-7H,2-5H2,1H3,(H,14,15)(H,11,12,13).
What are the key properties of 1-methyl-2-(1,2,4-thiadiazol-5-ylamino)cyclohexane-1-carboxylic acid?
1-methyl-2-(1,2,4-thiadiazol-5-ylamino)cyclohexane-1-carboxylic acid has a molecular weight of 241.32 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1,2,4-thiadiazol-5-ylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 83214146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).