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

C11H19N3S — CID 65271294

IUPACN-[(4-ethylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCCC1CCC(CNc2ncns2)CC1
InChIInChI=1S/C11H19N3S/c1-2-9-3-5-10(6-4-9)7-12-11-13-8-14-15-11/h8-10H,2-7H2,1H3,(H,12,13,14)
InChIKeyPBHVOGVAIPZLEP-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.17
Rot. Bonds4

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

N-[(4-ethylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 65271294) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID65271294
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCCC1CCC(CNc2ncns2)CC1
InChIInChI=1S/C11H19N3S/c1-2-9-3-5-10(6-4-9)7-12-11-13-8-14-15-11/h8-10H,2-7H2,1H3,(H,12,13,14)
InChIKeyPBHVOGVAIPZLEP-UHFFFAOYSA-N
XLogP3.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.17
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]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine (CID 65271294) is N-[(4-ethylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine is CCC1CCC(CNc2ncns2)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is PBHVOGVAIPZLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-2-9-3-5-10(6-4-9)7-12-11-13-8-14-15-11/h8-10H,2-7H2,1H3,(H,12,13,14).
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine?
N-[(4-ethylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 225.36 g/mol, XLogP of 3.17, 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]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).