N-(2-cyclohexylethyl)-1,2,5-thiadiazole-3-carboxamide

C11H17N3OS — CID 47338961

IUPACN-(2-cyclohexylethyl)-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(NCCC1CCCCC1)c1cnsn1
InChIInChI=1S/C11H17N3OS/c15-11(10-8-13-16-14-10)12-7-6-9-4-2-1-3-5-9/h8-9H,1-7H2,(H,12,15)
InChIKeyCGLQCPUSNSFUKI-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.24
Rot. Bonds4

About N-(2-cyclohexylethyl)-1,2,5-thiadiazole-3-carboxamide

N-(2-cyclohexylethyl)-1,2,5-thiadiazole-3-carboxamide (PubChem CID 47338961) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-1,2,5-thiadiazole-3-carboxamide
PubChem CID47338961
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC NameN-(2-cyclohexylethyl)-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(NCCC1CCCCC1)c1cnsn1
InChIInChI=1S/C11H17N3OS/c15-11(10-8-13-16-14-10)12-7-6-9-4-2-1-3-5-9/h8-9H,1-7H2,(H,12,15)
InChIKeyCGLQCPUSNSFUKI-UHFFFAOYSA-N
XLogP2.24
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-pyrrolidin-3-ylethyl)-1,2,5-thiadiazole-3-carboxamide
CID 63630234
N-cyclopropyl-1,2,5-thiadiazole-3-carboxamide
CID 60858227
6-chloro-N-(2-cyclohexylethyl)pyridazine-3-carboxamide
CID 54932474
4-bromo-N-(2-cyclohexylethyl)benzamide
CID 63524562
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1,2,5-thiadiazole-3-carboxamide
CID 112699813
N-(2-cyclohexylethyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107374667
N-(2-cyclohexylethyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62235799
(2S)-2-hydroxy-4-(1,2,5-thiadiazole-3-carbonylamino)butanoic acid
CID 107834931
5-(3-cyclohexylpropylcarbamoyl)pyrazine-2-carboxylic acid
CID 120685018
N-(2-cyclopentylethyl)-4-iodobenzamide
CID 60732288
5-carbamothioyl-N-(2-cyclopentylethyl)pyridine-2-carboxamide
CID 55230785
2-[4-(2-cyclohexylethylcarbamoyl)triazol-1-yl]acetic acid
CID 66290825

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-(2-cyclohexylethyl)-1,2,5-thiadiazole-3-carboxamide (CID 47338961) is N-(2-cyclohexylethyl)-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-(2-cyclohexylethyl)-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-(2-cyclohexylethyl)-1,2,5-thiadiazole-3-carboxamide is O=C(NCCC1CCCCC1)c1cnsn1.
What is the InChIKey of N-(2-cyclohexylethyl)-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is CGLQCPUSNSFUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c15-11(10-8-13-16-14-10)12-7-6-9-4-2-1-3-5-9/h8-9H,1-7H2,(H,12,15).
What are the key properties of N-(2-cyclohexylethyl)-1,2,5-thiadiazole-3-carboxamide?
N-(2-cyclohexylethyl)-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 47338961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).