N-[1-(aminomethyl)cyclohexyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine

C13H24N4S — CID 65277292

IUPACN-[1-(aminomethyl)cyclohexyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine
SMILESCC(C)(C)c1nsc(NC2(CN)CCCCC2)n1
InChIInChI=1S/C13H24N4S/c1-12(2,3)10-15-11(18-17-10)16-13(9-14)7-5-4-6-8-13/h4-9,14H2,1-3H3,(H,15,16,17)
InChIKeyKTFCNABAQYGZKJ-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.91
Rot. Bonds3

About N-[1-(aminomethyl)cyclohexyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine

N-[1-(aminomethyl)cyclohexyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine (PubChem CID 65277292) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine
PubChem CID65277292
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC NameN-[1-(aminomethyl)cyclohexyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine
SMILESCC(C)(C)c1nsc(NC2(CN)CCCCC2)n1
InChIInChI=1S/C13H24N4S/c1-12(2,3)10-15-11(18-17-10)16-13(9-14)7-5-4-6-8-13/h4-9,14H2,1-3H3,(H,15,16,17)
InChIKeyKTFCNABAQYGZKJ-UHFFFAOYSA-N
XLogP2.91
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclohexyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine (CID 65277292) is N-[1-(aminomethyl)cyclohexyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine is CC(C)(C)c1nsc(NC2(CN)CCCCC2)n1.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine?
The InChIKey is KTFCNABAQYGZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-12(2,3)10-15-11(18-17-10)16-13(9-14)7-5-4-6-8-13/h4-9,14H2,1-3H3,(H,15,16,17).
What are the key properties of N-[1-(aminomethyl)cyclohexyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine?
N-[1-(aminomethyl)cyclohexyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine has a molecular weight of 268.43 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclohexyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65277292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).