N-cyclohexyl-1,2,5-thiadiazole-3-carboxamide

C9H13N3OS — CID 900720

IUPACN-cyclohexyl-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cnsn1
InChIInChI=1S/C9H13N3OS/c13-9(8-6-10-14-12-8)11-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,11,13)
InChIKeyZLFOYIZBQZCEGZ-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.60
Rot. Bonds2

About N-cyclohexyl-1,2,5-thiadiazole-3-carboxamide

N-cyclohexyl-1,2,5-thiadiazole-3-carboxamide (PubChem CID 900720) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is N-cyclohexyl-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1,2,5-thiadiazole-3-carboxamide
PubChem CID900720
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC NameN-cyclohexyl-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cnsn1
InChIInChI=1S/C9H13N3OS/c13-9(8-6-10-14-12-8)11-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,11,13)
InChIKeyZLFOYIZBQZCEGZ-UHFFFAOYSA-N
XLogP1.60
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-cyclohexen-1-yl)ethyl]-1,2,5-thiadiazole-3-carboxamide
CID 735173
N-octyl-1,2,5-thiadiazole-3-carboxamide
CID 4654427
3-Ethyl-4-(1,2,5-thiadiazole-3-carbonyl)piperazin-2-one
CID 63601362
N-[(2S)-5-hydroxypentan-2-yl]-1,2,5-thiadiazole-3-carboxamide
CID 97019561
N-(3-amino-2,2-difluoropropyl)-1,2,5-thiadiazole-3-carboxamide
CID 114383742
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2,5-thiadiazole-3-carboxamide;hydrochloride
CID 120813704
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2,5-thiadiazole-3-carboxamide
CID 120813705
N-(2,2-difluoroethyl)-1,2,5-thiadiazole-3-carboxamide
CID 130736415
N-(5-hydroxypentan-2-yl)-1,2,5-thiadiazole-3-carboxamide
CID 71683377
1,2-Dimethylpiperazine;1,2,5-thiadiazole-3-carboxamide
CID 19826651
2,5-Dimethylpiperazine;1,2,5-thiadiazole-3-carboxamide
CID 21621721
N-methyl-1,2,5-thiadiazole-3-carboxamide
CID 23525713

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-1,2,5-thiadiazole-3-carboxamide (CID 900720) is N-cyclohexyl-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1,2,5-thiadiazole-3-carboxamide is O=C(NC1CCCCC1)c1cnsn1.
What is the InChIKey of N-cyclohexyl-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is ZLFOYIZBQZCEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c13-9(8-6-10-14-12-8)11-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,11,13).
What are the key properties of N-cyclohexyl-1,2,5-thiadiazole-3-carboxamide?
N-cyclohexyl-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 211.29 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 900720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).