N-(thiadiazol-5-yl)cyclohexanecarboxamide

C9H13N3OS — CID 100655060

IUPACN-(thiadiazol-5-yl)cyclohexanecarboxamide
SMILESO=C(Nc1cnns1)C1CCCCC1
InChIInChI=1S/C9H13N3OS/c13-9(7-4-2-1-3-5-7)11-8-6-10-12-14-8/h6-7H,1-5H2,(H,11,13)
InChIKeyMVAGJEWQPQFTOH-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.06
Rot. Bonds2

About N-(thiadiazol-5-yl)cyclohexanecarboxamide

N-(thiadiazol-5-yl)cyclohexanecarboxamide (PubChem CID 100655060) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is N-(thiadiazol-5-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(thiadiazol-5-yl)cyclohexanecarboxamide
PubChem CID100655060
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC NameN-(thiadiazol-5-yl)cyclohexanecarboxamide
SMILESO=C(Nc1cnns1)C1CCCCC1
InChIInChI=1S/C9H13N3OS/c13-9(7-4-2-1-3-5-7)11-8-6-10-12-14-8/h6-7H,1-5H2,(H,11,13)
InChIKeyMVAGJEWQPQFTOH-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(thiadiazol-5-yl)cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(thiadiazol-5-yl)cyclohexanecarboxamide?
The IUPAC name of N-(thiadiazol-5-yl)cyclohexanecarboxamide (CID 100655060) is N-(thiadiazol-5-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(thiadiazol-5-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(thiadiazol-5-yl)cyclohexanecarboxamide is O=C(Nc1cnns1)C1CCCCC1.
What is the InChIKey of N-(thiadiazol-5-yl)cyclohexanecarboxamide?
The InChIKey is MVAGJEWQPQFTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c13-9(7-4-2-1-3-5-7)11-8-6-10-12-14-8/h6-7H,1-5H2,(H,11,13).
What are the key properties of N-(thiadiazol-5-yl)cyclohexanecarboxamide?
N-(thiadiazol-5-yl)cyclohexanecarboxamide has a molecular weight of 211.29 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiadiazol-5-yl)cyclohexanecarboxamide is sourced from PubChem (CID 100655060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).