5-(cyclohexylcarbamoylamino)thiadiazole-4-carboxylic acid

C10H14N4O3S — CID 1499147

IUPAC5-(cyclohexylcarbamoylamino)thiadiazole-4-carboxylic acid
SMILESO=C(Nc1snnc1C(=O)O)NC1CCCCC1
InChIInChI=1S/C10H14N4O3S/c15-9(16)7-8(18-14-13-7)12-10(17)11-6-4-2-1-3-5-6/h6H,1-5H2,(H,15,16)(H2,11,12,17)
InChIKeyHVNQRNPDSWMWHD-UHFFFAOYSA-N
MW270.31 g/mol
LogP1.69
Rot. Bonds3

About 5-(cyclohexylcarbamoylamino)thiadiazole-4-carboxylic acid

5-(cyclohexylcarbamoylamino)thiadiazole-4-carboxylic acid (PubChem CID 1499147) has the molecular formula C10H14N4O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is 5-(cyclohexylcarbamoylamino)thiadiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(cyclohexylcarbamoylamino)thiadiazole-4-carboxylic acid
PubChem CID1499147
Molecular FormulaC10H14N4O3S
Molecular Weight270.31 g/mol
Exact Mass270.08
IUPAC Name5-(cyclohexylcarbamoylamino)thiadiazole-4-carboxylic acid
SMILESO=C(Nc1snnc1C(=O)O)NC1CCCCC1
InChIInChI=1S/C10H14N4O3S/c15-9(16)7-8(18-14-13-7)12-10(17)11-6-4-2-1-3-5-6/h6H,1-5H2,(H,15,16)(H2,11,12,17)
InChIKeyHVNQRNPDSWMWHD-UHFFFAOYSA-N
XLogP1.69
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyclopentylcarbamoyl)thiadiazole-5-carboxylic acid
CID 117214899
N-cyclohexyl-5-[(4-phenylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxamide
CID 17037036
2-(cyclohexylcarbamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid
CID 28860432
1-cycloheptyl-3-(1,3,4-thiadiazol-2-yl)urea
CID 47191642
2-(cyclohexylcarbamoylamino)-1,3-thiazole-4-carboxylic acid
CID 28858154
2-(cyclohexylcarbamoylamino)-4,5-dimethylthiophene-3-carboxamide
CID 874492
5-[(4-methylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxylic acid
CID 6917312
4-(cyclooctylcarbamoylamino)benzoic acid
CID 61181422
1-cyclobutyl-3-cyclohexylurea
CID 17217147
5-[(4-nitrophenyl)carbamoylamino]thiadiazole-4-carboxylic acid
CID 3276295
2-(cyclohexylcarbamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 4684992
1-cyclohexyl-3-[4-(cyclohexylcarbamoylamino)-6-phenyl-1,3,5-triazin-2-yl]urea
CID 27162469

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylcarbamoylamino)thiadiazole-4-carboxylic acid?
The IUPAC name of 5-(cyclohexylcarbamoylamino)thiadiazole-4-carboxylic acid (CID 1499147) is 5-(cyclohexylcarbamoylamino)thiadiazole-4-carboxylic acid.
What is the SMILES notation for 5-(cyclohexylcarbamoylamino)thiadiazole-4-carboxylic acid?
The canonical SMILES for 5-(cyclohexylcarbamoylamino)thiadiazole-4-carboxylic acid is O=C(Nc1snnc1C(=O)O)NC1CCCCC1.
What is the InChIKey of 5-(cyclohexylcarbamoylamino)thiadiazole-4-carboxylic acid?
The InChIKey is HVNQRNPDSWMWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S/c15-9(16)7-8(18-14-13-7)12-10(17)11-6-4-2-1-3-5-6/h6H,1-5H2,(H,15,16)(H2,11,12,17).
What are the key properties of 5-(cyclohexylcarbamoylamino)thiadiazole-4-carboxylic acid?
5-(cyclohexylcarbamoylamino)thiadiazole-4-carboxylic acid has a molecular weight of 270.31 g/mol, XLogP of 1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylcarbamoylamino)thiadiazole-4-carboxylic acid is sourced from PubChem (CID 1499147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).