N-cyclooctyl-1,2,4-thiadiazol-5-amine

C10H17N3S — CID 65271652

IUPACN-cyclooctyl-1,2,4-thiadiazol-5-amine
SMILESc1nsc(NC2CCCCCCC2)n1
InChIInChI=1S/C10H17N3S/c1-2-4-6-9(7-5-3-1)13-10-11-8-12-14-10/h8-9H,1-7H2,(H,11,12,13)
InChIKeyNLGMZSBKOONUMK-UHFFFAOYSA-N
MW211.33 g/mol
LogP3.06
Rot. Bonds2

About N-cyclooctyl-1,2,4-thiadiazol-5-amine

N-cyclooctyl-1,2,4-thiadiazol-5-amine (PubChem CID 65271652) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-cyclooctyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-cyclooctyl-1,2,4-thiadiazol-5-amine
PubChem CID65271652
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-cyclooctyl-1,2,4-thiadiazol-5-amine
SMILESc1nsc(NC2CCCCCCC2)n1
InChIInChI=1S/C10H17N3S/c1-2-4-6-9(7-5-3-1)13-10-11-8-12-14-10/h8-9H,1-7H2,(H,11,12,13)
InChIKeyNLGMZSBKOONUMK-UHFFFAOYSA-N
XLogP3.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-difluorocyclohexyl)-1,2,4-thiadiazol-5-amine
CID 131198079
N-pentyl-1,2,4-thiadiazol-5-amine
CID 65271368
N'-cycloheptyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65270802
N-cycloheptyl-1,2,4-thiadiazol-5-amine
CID 65270924
N'-cyclohexyl-N'-methyl-N-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65270948
N-(2-cyclohexylethyl)-1,2,4-thiadiazol-5-amine
CID 65271577
1-N,1-N-diethyl-4-N-(1,2,4-thiadiazol-5-yl)pentane-1,4-diamine
CID 65271598
N-cyclohexyl-1,2,4-thiadiazol-5-amine
CID 65271817
4-N-(1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine
CID 65271850
N-cyclopentyl-1,2,4-thiadiazol-5-amine
CID 65272086
N-pentan-2-yl-1,2,4-thiadiazol-5-amine
CID 65272092
N-pentan-3-yl-1,2,4-thiadiazol-5-amine
CID 65272145

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-cyclooctyl-1,2,4-thiadiazol-5-amine (CID 65271652) is N-cyclooctyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-cyclooctyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-cyclooctyl-1,2,4-thiadiazol-5-amine is c1nsc(NC2CCCCCCC2)n1.
What is the InChIKey of N-cyclooctyl-1,2,4-thiadiazol-5-amine?
The InChIKey is NLGMZSBKOONUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-2-4-6-9(7-5-3-1)13-10-11-8-12-14-10/h8-9H,1-7H2,(H,11,12,13).
What are the key properties of N-cyclooctyl-1,2,4-thiadiazol-5-amine?
N-cyclooctyl-1,2,4-thiadiazol-5-amine has a molecular weight of 211.33 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).