N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine

C13H23N3S — CID 86803538

IUPACN-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine
SMILESCCc1nnc(CN(C)C2CCCCC2C)s1
InChIInChI=1S/C13H23N3S/c1-4-12-14-15-13(17-12)9-16(3)11-8-6-5-7-10(11)2/h10-11H,4-9H2,1-3H3
InChIKeyOPJXESHWJGVLPU-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.11
Rot. Bonds4

About N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine

N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine (PubChem CID 86803538) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine
PubChem CID86803538
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine
SMILESCCc1nnc(CN(C)C2CCCCC2C)s1
InChIInChI=1S/C13H23N3S/c1-4-12-14-15-13(17-12)9-16(3)11-8-6-5-7-10(11)2/h10-11H,4-9H2,1-3H3
InChIKeyOPJXESHWJGVLPU-UHFFFAOYSA-N
XLogP3.11
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine (CID 86803538) is N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine is CCc1nnc(CN(C)C2CCCCC2C)s1.
What is the InChIKey of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine?
The InChIKey is OPJXESHWJGVLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-4-12-14-15-13(17-12)9-16(3)11-8-6-5-7-10(11)2/h10-11H,4-9H2,1-3H3.
What are the key properties of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine?
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 86803538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).