N-(2-chloroethyl)-N-cyclohexylthiadiazole-5-carboxamide

C11H16ClN3OS — CID 65215331

IUPACN-(2-chloroethyl)-N-cyclohexylthiadiazole-5-carboxamide
SMILESO=C(c1cnns1)N(CCCl)C1CCCCC1
InChIInChI=1S/C11H16ClN3OS/c12-6-7-15(9-4-2-1-3-5-9)11(16)10-8-13-14-17-10/h8-9H,1-7H2
InChIKeyFPFHRHSICJBHDB-UHFFFAOYSA-N
MW273.79 g/mol
LogP2.55
Rot. Bonds4

About N-(2-chloroethyl)-N-cyclohexylthiadiazole-5-carboxamide

N-(2-chloroethyl)-N-cyclohexylthiadiazole-5-carboxamide (PubChem CID 65215331) has the molecular formula C11H16ClN3OS and a molecular weight of 273.79 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclohexylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclohexylthiadiazole-5-carboxamide
PubChem CID65215331
Molecular FormulaC11H16ClN3OS
Molecular Weight273.79 g/mol
Exact Mass273.07
IUPAC NameN-(2-chloroethyl)-N-cyclohexylthiadiazole-5-carboxamide
SMILESO=C(c1cnns1)N(CCCl)C1CCCCC1
InChIInChI=1S/C11H16ClN3OS/c12-6-7-15(9-4-2-1-3-5-9)11(16)10-8-13-14-17-10/h8-9H,1-7H2
InChIKeyFPFHRHSICJBHDB-UHFFFAOYSA-N
XLogP2.55
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclohexylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclohexylthiadiazole-5-carboxamide (CID 65215331) is N-(2-chloroethyl)-N-cyclohexylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclohexylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclohexylthiadiazole-5-carboxamide is O=C(c1cnns1)N(CCCl)C1CCCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclohexylthiadiazole-5-carboxamide?
The InChIKey is FPFHRHSICJBHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3OS/c12-6-7-15(9-4-2-1-3-5-9)11(16)10-8-13-14-17-10/h8-9H,1-7H2.
What are the key properties of N-(2-chloroethyl)-N-cyclohexylthiadiazole-5-carboxamide?
N-(2-chloroethyl)-N-cyclohexylthiadiazole-5-carboxamide has a molecular weight of 273.79 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclohexylthiadiazole-5-carboxamide is sourced from PubChem (CID 65215331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).