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

C12H21N3S — CID 64982714

IUPAC5-methyl-N-[2-(3-methylcyclohexyl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCCC2CCCC(C)C2)s1
InChIInChI=1S/C12H21N3S/c1-9-4-3-5-11(8-9)6-7-13-12-15-14-10(2)16-12/h9,11H,3-8H2,1-2H3,(H,13,15)
InChIKeyIBSSWXWBOKOUQJ-UHFFFAOYSA-N
MW239.39 g/mol
LogP3.47
Rot. Bonds4

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

5-methyl-N-[2-(3-methylcyclohexyl)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 64982714) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 5-methyl-N-[2-(3-methylcyclohexyl)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(3-methylcyclohexyl)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID64982714
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name5-methyl-N-[2-(3-methylcyclohexyl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCCC2CCCC(C)C2)s1
InChIInChI=1S/C12H21N3S/c1-9-4-3-5-11(8-9)6-7-13-12-15-14-10(2)16-12/h9,11H,3-8H2,1-2H3,(H,13,15)
InChIKeyIBSSWXWBOKOUQJ-UHFFFAOYSA-N
XLogP3.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(3-methylcyclohexyl)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-[2-(3-methylcyclohexyl)ethyl]-1,3,4-thiadiazol-2-amine (CID 64982714) is 5-methyl-N-[2-(3-methylcyclohexyl)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[2-(3-methylcyclohexyl)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-[2-(3-methylcyclohexyl)ethyl]-1,3,4-thiadiazol-2-amine is Cc1nnc(NCCC2CCCC(C)C2)s1.
What is the InChIKey of 5-methyl-N-[2-(3-methylcyclohexyl)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is IBSSWXWBOKOUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-9-4-3-5-11(8-9)6-7-13-12-15-14-10(2)16-12/h9,11H,3-8H2,1-2H3,(H,13,15).
What are the key properties of 5-methyl-N-[2-(3-methylcyclohexyl)ethyl]-1,3,4-thiadiazol-2-amine?
5-methyl-N-[2-(3-methylcyclohexyl)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 239.39 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(3-methylcyclohexyl)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64982714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).