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

C12H21N3S — CID 65267977

IUPACN-[(4-ethylcyclohexyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCCC1CCC(CNc2nc(C)ns2)CC1
InChIInChI=1S/C12H21N3S/c1-3-10-4-6-11(7-5-10)8-13-12-14-9(2)15-16-12/h10-11H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyXXMSZWNQOFGQGF-UHFFFAOYSA-N
MW239.39 g/mol
LogP3.47
Rot. Bonds4

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

N-[(4-ethylcyclohexyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 65267977) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID65267977
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCCC1CCC(CNc2nc(C)ns2)CC1
InChIInChI=1S/C12H21N3S/c1-3-10-4-6-11(7-5-10)8-13-12-14-9(2)15-16-12/h10-11H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyXXMSZWNQOFGQGF-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 N-[(4-ethylcyclohexyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine (CID 65267977) is N-[(4-ethylcyclohexyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine is CCC1CCC(CNc2nc(C)ns2)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is XXMSZWNQOFGQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-3-10-4-6-11(7-5-10)8-13-12-14-9(2)15-16-12/h10-11H,3-8H2,1-2H3,(H,13,14,15).
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
N-[(4-ethylcyclohexyl)methyl]-3-methyl-1,2,4-thiadiazol-5-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 N-[(4-ethylcyclohexyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).