N-ethyl-4-[[methyl-(2-methylcyclohexyl)amino]methyl]thiadiazol-5-amine

C13H24N4S — CID 62207726

IUPACN-ethyl-4-[[methyl-(2-methylcyclohexyl)amino]methyl]thiadiazol-5-amine
SMILESCCNc1snnc1CN(C)C1CCCCC1C
InChIInChI=1S/C13H24N4S/c1-4-14-13-11(15-16-18-13)9-17(3)12-8-6-5-7-10(12)2/h10,12,14H,4-9H2,1-3H3
InChIKeyNIWQVFLNMRWAGX-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.98
Rot. Bonds5

About N-ethyl-4-[[methyl-(2-methylcyclohexyl)amino]methyl]thiadiazol-5-amine

N-ethyl-4-[[methyl-(2-methylcyclohexyl)amino]methyl]thiadiazol-5-amine (PubChem CID 62207726) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is N-ethyl-4-[[methyl-(2-methylcyclohexyl)amino]methyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-4-[[methyl-(2-methylcyclohexyl)amino]methyl]thiadiazol-5-amine
PubChem CID62207726
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC NameN-ethyl-4-[[methyl-(2-methylcyclohexyl)amino]methyl]thiadiazol-5-amine
SMILESCCNc1snnc1CN(C)C1CCCCC1C
InChIInChI=1S/C13H24N4S/c1-4-14-13-11(15-16-18-13)9-17(3)12-8-6-5-7-10(12)2/h10,12,14H,4-9H2,1-3H3
InChIKeyNIWQVFLNMRWAGX-UHFFFAOYSA-N
XLogP2.98
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[methyl-(2-methylcyclohexyl)amino]methyl]thiadiazol-5-amine?
The IUPAC name of N-ethyl-4-[[methyl-(2-methylcyclohexyl)amino]methyl]thiadiazol-5-amine (CID 62207726) is N-ethyl-4-[[methyl-(2-methylcyclohexyl)amino]methyl]thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-4-[[methyl-(2-methylcyclohexyl)amino]methyl]thiadiazol-5-amine?
The canonical SMILES for N-ethyl-4-[[methyl-(2-methylcyclohexyl)amino]methyl]thiadiazol-5-amine is CCNc1snnc1CN(C)C1CCCCC1C.
What is the InChIKey of N-ethyl-4-[[methyl-(2-methylcyclohexyl)amino]methyl]thiadiazol-5-amine?
The InChIKey is NIWQVFLNMRWAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-4-14-13-11(15-16-18-13)9-17(3)12-8-6-5-7-10(12)2/h10,12,14H,4-9H2,1-3H3.
What are the key properties of N-ethyl-4-[[methyl-(2-methylcyclohexyl)amino]methyl]thiadiazol-5-amine?
N-ethyl-4-[[methyl-(2-methylcyclohexyl)amino]methyl]thiadiazol-5-amine has a molecular weight of 268.43 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[methyl-(2-methylcyclohexyl)amino]methyl]thiadiazol-5-amine is sourced from PubChem (CID 62207726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).