N-[1-(chloromethyl)-4-methylcyclohexyl]thiadiazole-5-carboxamide

C11H16ClN3OS — CID 114304344

IUPACN-[1-(chloromethyl)-4-methylcyclohexyl]thiadiazole-5-carboxamide
SMILESCC1CCC(CCl)(NC(=O)c2cnns2)CC1
InChIInChI=1S/C11H16ClN3OS/c1-8-2-4-11(7-12,5-3-8)14-10(16)9-6-13-15-17-9/h6,8H,2-5,7H2,1H3,(H,14,16)
InChIKeyLKUPZFPHRIBCEQ-UHFFFAOYSA-N
MW273.79 g/mol
LogP2.46
Rot. Bonds3

About N-[1-(chloromethyl)-4-methylcyclohexyl]thiadiazole-5-carboxamide

N-[1-(chloromethyl)-4-methylcyclohexyl]thiadiazole-5-carboxamide (PubChem CID 114304344) has the molecular formula C11H16ClN3OS and a molecular weight of 273.79 g/mol. Its IUPAC name is N-[1-(chloromethyl)-4-methylcyclohexyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)-4-methylcyclohexyl]thiadiazole-5-carboxamide
PubChem CID114304344
Molecular FormulaC11H16ClN3OS
Molecular Weight273.79 g/mol
Exact Mass273.07
IUPAC NameN-[1-(chloromethyl)-4-methylcyclohexyl]thiadiazole-5-carboxamide
SMILESCC1CCC(CCl)(NC(=O)c2cnns2)CC1
InChIInChI=1S/C11H16ClN3OS/c1-8-2-4-11(7-12,5-3-8)14-10(16)9-6-13-15-17-9/h6,8H,2-5,7H2,1H3,(H,14,16)
InChIKeyLKUPZFPHRIBCEQ-UHFFFAOYSA-N
XLogP2.46
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[1-(chloromethyl)-4-methylcyclohexyl]thiadiazole-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[1-(chloromethyl)-4-methylcyclohexyl]-5-fluoropyridine-2-carboxamide
CID 104643153
N-[1-(chloromethyl)-4-methylcyclohexyl]-4-ethylthiadiazole-5-carboxamide
CID 113273214
N-[1-(chloromethyl)-4-methylcyclohexyl]-1,3-thiazole-4-carboxamide
CID 114304180
N-[1-(chloromethyl)-4-methylcyclohexyl]-2,4,6-trimethylbenzamide
CID 114304211
2-chloro-N-[1-(chloromethyl)-4-methylcyclohexyl]-5-hydroxybenzamide
CID 106503135
N-[1-(chloromethyl)-4-methylcyclohexyl]-4-nitrobenzamide
CID 114304298
3-chloro-N-[1-(chloromethyl)-4-methylcyclohexyl]-4-fluorobenzamide
CID 82879015
5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-2-carboxamide
CID 81316686
N-[1-(chloromethyl)-4-methylcyclohexyl]-2,4-difluorobenzamide
CID 114304359
N-[1-(chloromethyl)-4-methylcyclohexyl]-3-cyanobenzamide
CID 114304169
4,5-dibromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]thiophene-2-carboxamide
CID 62525616
N-[1-(chloromethyl)-4-methylcyclohexyl]-1-benzofuran-2-carboxamide
CID 114304186

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)-4-methylcyclohexyl]thiadiazole-5-carboxamide?
The IUPAC name of N-[1-(chloromethyl)-4-methylcyclohexyl]thiadiazole-5-carboxamide (CID 114304344) is N-[1-(chloromethyl)-4-methylcyclohexyl]thiadiazole-5-carboxamide.
What is the SMILES notation for N-[1-(chloromethyl)-4-methylcyclohexyl]thiadiazole-5-carboxamide?
The canonical SMILES for N-[1-(chloromethyl)-4-methylcyclohexyl]thiadiazole-5-carboxamide is CC1CCC(CCl)(NC(=O)c2cnns2)CC1.
What is the InChIKey of N-[1-(chloromethyl)-4-methylcyclohexyl]thiadiazole-5-carboxamide?
The InChIKey is LKUPZFPHRIBCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3OS/c1-8-2-4-11(7-12,5-3-8)14-10(16)9-6-13-15-17-9/h6,8H,2-5,7H2,1H3,(H,14,16).
What are the key properties of N-[1-(chloromethyl)-4-methylcyclohexyl]thiadiazole-5-carboxamide?
N-[1-(chloromethyl)-4-methylcyclohexyl]thiadiazole-5-carboxamide has a molecular weight of 273.79 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)-4-methylcyclohexyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 114304344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).