N-ethyl-N-(2-methylcyclohexyl)thiadiazole-5-carboxamide

C12H19N3OS — CID 86768817

IUPACN-ethyl-N-(2-methylcyclohexyl)thiadiazole-5-carboxamide
SMILESCCN(C1CCCCC1C)C(=O)C2=CN=NS2
InChIInChI=1S/C12H19N3OS/c1-3-15(10-7-5-4-6-9(10)2)12(16)11-8-13-14-17-11/h8-10H,3-7H2,1-2H3
InChIKeyNTBGJIMQEFTRLY-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.80
Rot. Bonds3

About N-ethyl-N-(2-methylcyclohexyl)thiadiazole-5-carboxamide

N-ethyl-N-(2-methylcyclohexyl)thiadiazole-5-carboxamide (PubChem CID 86768817) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-ethyl-N-(2-methylcyclohexyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylcyclohexyl)thiadiazole-5-carboxamide
PubChem CID86768817
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-ethyl-N-(2-methylcyclohexyl)thiadiazole-5-carboxamide
SMILESCCN(C1CCCCC1C)C(=O)C2=CN=NS2
InChIInChI=1S/C12H19N3OS/c1-3-15(10-7-5-4-6-9(10)2)12(16)11-8-13-14-17-11/h8-10H,3-7H2,1-2H3
InChIKeyNTBGJIMQEFTRLY-UHFFFAOYSA-N
XLogP2.80
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity274

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylcyclohexyl)thiadiazole-5-carboxamide?
The IUPAC name of N-ethyl-N-(2-methylcyclohexyl)thiadiazole-5-carboxamide (CID 86768817) is N-ethyl-N-(2-methylcyclohexyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-methylcyclohexyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-ethyl-N-(2-methylcyclohexyl)thiadiazole-5-carboxamide is CCN(C1CCCCC1C)C(=O)C2=CN=NS2.
What is the InChIKey of N-ethyl-N-(2-methylcyclohexyl)thiadiazole-5-carboxamide?
The InChIKey is NTBGJIMQEFTRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-3-15(10-7-5-4-6-9(10)2)12(16)11-8-13-14-17-11/h8-10H,3-7H2,1-2H3.
What are the key properties of N-ethyl-N-(2-methylcyclohexyl)thiadiazole-5-carboxamide?
N-ethyl-N-(2-methylcyclohexyl)thiadiazole-5-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylcyclohexyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 86768817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).