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

C9H15N3S — CID 65271443

IUPACN-(3-methylcyclohexyl)-1,2,4-thiadiazol-5-amine
SMILESCC1CCCC(Nc2ncns2)C1
InChIInChI=1S/C9H15N3S/c1-7-3-2-4-8(5-7)12-9-10-6-11-13-9/h6-8H,2-5H2,1H3,(H,10,11,12)
InChIKeyOLYSUTAOGSHANS-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.53
Rot. Bonds2

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

N-(3-methylcyclohexyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65271443) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is N-(3-methylcyclohexyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(3-methylcyclohexyl)-1,2,4-thiadiazol-5-amine
PubChem CID65271443
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC NameN-(3-methylcyclohexyl)-1,2,4-thiadiazol-5-amine
SMILESCC1CCCC(Nc2ncns2)C1
InChIInChI=1S/C9H15N3S/c1-7-3-2-4-8(5-7)12-9-10-6-11-13-9/h6-8H,2-5H2,1H3,(H,10,11,12)
InChIKeyOLYSUTAOGSHANS-UHFFFAOYSA-N
XLogP2.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(3-methylcyclohexyl)-1,2,4-thiadiazol-5-amine
CID 65267917
N-cycloheptyl-1,2,4-thiadiazol-5-amine
CID 65270924
N-(2,3-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine
CID 65271257
N-[(4-ethylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine
CID 65271294
N-(2-cyclopentylethyl)-1,2,4-thiadiazol-5-amine
CID 65271516
N-(2-methylcyclohexyl)-1,2,4-thiadiazol-5-amine
CID 65271545
N-(cyclopentylmethyl)-1,2,4-thiadiazol-5-amine
CID 65271554
N-(2-cyclohexylethyl)-1,2,4-thiadiazol-5-amine
CID 65271577
N-(cyclohexylmethyl)-1,2,4-thiadiazol-5-amine
CID 65271613
N-(4-methylpentyl)-1,2,4-thiadiazol-5-amine
CID 65271648
N-(4-methylcyclohexyl)-1,2,4-thiadiazol-5-amine
CID 65271662
N-(4-methylpentan-2-yl)-1,2,4-thiadiazol-5-amine
CID 65271727

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclohexyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(3-methylcyclohexyl)-1,2,4-thiadiazol-5-amine (CID 65271443) is N-(3-methylcyclohexyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(3-methylcyclohexyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(3-methylcyclohexyl)-1,2,4-thiadiazol-5-amine is CC1CCCC(Nc2ncns2)C1.
What is the InChIKey of N-(3-methylcyclohexyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is OLYSUTAOGSHANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-7-3-2-4-8(5-7)12-9-10-6-11-13-9/h6-8H,2-5H2,1H3,(H,10,11,12).
What are the key properties of N-(3-methylcyclohexyl)-1,2,4-thiadiazol-5-amine?
N-(3-methylcyclohexyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 197.31 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclohexyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).