N-(1-cyclohexylethyl)-3-methyl-1,2,4-thiadiazol-5-amine

C11H19N3S — CID 65267693

IUPACN-(1-cyclohexylethyl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC(C)C2CCCCC2)n1
InChIInChI=1S/C11H19N3S/c1-8(10-6-4-3-5-7-10)12-11-13-9(2)14-15-11/h8,10H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyMMEBUALCNLXVBK-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.23
Rot. Bonds3

About N-(1-cyclohexylethyl)-3-methyl-1,2,4-thiadiazol-5-amine

N-(1-cyclohexylethyl)-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 65267693) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID65267693
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN-(1-cyclohexylethyl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC(C)C2CCCCC2)n1
InChIInChI=1S/C11H19N3S/c1-8(10-6-4-3-5-7-10)12-11-13-9(2)14-15-11/h8,10H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyMMEBUALCNLXVBK-UHFFFAOYSA-N
XLogP3.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(1-cyclohexylethyl)-3-methyl-1,2,4-thiadiazol-5-amine (CID 65267693) is N-(1-cyclohexylethyl)-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(1-cyclohexylethyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(1-cyclohexylethyl)-3-methyl-1,2,4-thiadiazol-5-amine is Cc1nsc(NC(C)C2CCCCC2)n1.
What is the InChIKey of N-(1-cyclohexylethyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is MMEBUALCNLXVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-8(10-6-4-3-5-7-10)12-11-13-9(2)14-15-11/h8,10H,3-7H2,1-2H3,(H,12,13,14).
What are the key properties of N-(1-cyclohexylethyl)-3-methyl-1,2,4-thiadiazol-5-amine?
N-(1-cyclohexylethyl)-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 225.36 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).