N-(cyclohexylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine

C10H17N3S — CID 65267972

IUPACN-(cyclohexylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCC2CCCCC2)n1
InChIInChI=1S/C10H17N3S/c1-8-12-10(14-13-8)11-7-9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H,11,12,13)
InChIKeyIGVXINPPJDIBOU-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.84
Rot. Bonds3

About N-(cyclohexylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine

N-(cyclohexylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 65267972) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID65267972
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-(cyclohexylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCC2CCCCC2)n1
InChIInChI=1S/C10H17N3S/c1-8-12-10(14-13-8)11-7-9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H,11,12,13)
InChIKeyIGVXINPPJDIBOU-UHFFFAOYSA-N
XLogP2.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(cyclohexylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine (CID 65267972) is N-(cyclohexylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(cyclohexylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine is Cc1nsc(NCC2CCCCC2)n1.
What is the InChIKey of N-(cyclohexylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is IGVXINPPJDIBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-8-12-10(14-13-8)11-7-9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H,11,12,13).
What are the key properties of N-(cyclohexylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine?
N-(cyclohexylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 211.33 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).