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

C13H24N4S — CID 65278010

IUPACN-[(2-aminocyclohexyl)methyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine
SMILESCC(C)(C)c1nsc(NCC2CCCCC2N)n1
InChIInChI=1S/C13H24N4S/c1-13(2,3)11-16-12(18-17-11)15-8-9-6-4-5-7-10(9)14/h9-10H,4-8,14H2,1-3H3,(H,15,16,17)
InChIKeyMTUGFYFWTSVURU-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.77
Rot. Bonds3

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

N-[(2-aminocyclohexyl)methyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine (PubChem CID 65278010) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is N-[(2-aminocyclohexyl)methyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(2-aminocyclohexyl)methyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine
PubChem CID65278010
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC NameN-[(2-aminocyclohexyl)methyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine
SMILESCC(C)(C)c1nsc(NCC2CCCCC2N)n1
InChIInChI=1S/C13H24N4S/c1-13(2,3)11-16-12(18-17-11)15-8-9-6-4-5-7-10(9)14/h9-10H,4-8,14H2,1-3H3,(H,15,16,17)
InChIKeyMTUGFYFWTSVURU-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-tert-butyl-N-[(3-chlorocyclobutyl)methyl]-1,2,4-thiadiazol-5-amine
CID 66006089
N-[2-(4-aminocyclohexyl)oxyethyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine
CID 65276168
3-tert-butyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 128998693
N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine
CID 65270947
3-tert-butyl-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 97052697
N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-methylethane-1,2-diamine
CID 65276265
4-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-1-N-methylcyclohexane-1,4-diamine
CID 79111015
3-tert-butyl-N-[(1-methylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine
CID 114095034
1-[4-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 133494380
3-tert-butyl-N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 127939534
2-[[(3-amino-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol
CID 66278140
N-[1-(aminomethyl)cyclohexyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine
CID 65277292

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminocyclohexyl)methyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(2-aminocyclohexyl)methyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine (CID 65278010) is N-[(2-aminocyclohexyl)methyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(2-aminocyclohexyl)methyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(2-aminocyclohexyl)methyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine is CC(C)(C)c1nsc(NCC2CCCCC2N)n1.
What is the InChIKey of N-[(2-aminocyclohexyl)methyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine?
The InChIKey is MTUGFYFWTSVURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-13(2,3)11-16-12(18-17-11)15-8-9-6-4-5-7-10(9)14/h9-10H,4-8,14H2,1-3H3,(H,15,16,17).
What are the key properties of N-[(2-aminocyclohexyl)methyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine?
N-[(2-aminocyclohexyl)methyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine has a molecular weight of 268.43 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminocyclohexyl)methyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65278010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).