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

C9H15N3S — CID 65271613

IUPACN-(cyclohexylmethyl)-1,2,4-thiadiazol-5-amine
SMILESc1nsc(NCC2CCCCC2)n1
InChIInChI=1S/C9H15N3S/c1-2-4-8(5-3-1)6-10-9-11-7-12-13-9/h7-8H,1-6H2,(H,10,11,12)
InChIKeyYNFVWASVFDSSLG-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.53
Rot. Bonds3

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

N-(cyclohexylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65271613) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65271613
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC NameN-(cyclohexylmethyl)-1,2,4-thiadiazol-5-amine
SMILESc1nsc(NCC2CCCCC2)n1
InChIInChI=1S/C9H15N3S/c1-2-4-8(5-3-1)6-10-9-11-7-12-13-9/h7-8H,1-6H2,(H,10,11,12)
InChIKeyYNFVWASVFDSSLG-UHFFFAOYSA-N
XLogP2.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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

N-[2-(1-fluorocyclobutyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 130616600
N-(2-cyclobutyl-2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine
CID 131020650
N-(3-methylbutyl)-1,2,4-thiadiazol-5-amine
CID 65270965
N-(cyclobutylmethyl)-1,2,4-thiadiazol-5-amine
CID 65271209
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-(3-methylcyclohexyl)-1,2,4-thiadiazol-5-amine
CID 65271443
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-(4-methylpentyl)-1,2,4-thiadiazol-5-amine
CID 65271648

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(cyclohexylmethyl)-1,2,4-thiadiazol-5-amine (CID 65271613) is N-(cyclohexylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(cyclohexylmethyl)-1,2,4-thiadiazol-5-amine is c1nsc(NCC2CCCCC2)n1.
What is the InChIKey of N-(cyclohexylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is YNFVWASVFDSSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-2-4-8(5-3-1)6-10-9-11-7-12-13-9/h7-8H,1-6H2,(H,10,11,12).
What are the key properties of N-(cyclohexylmethyl)-1,2,4-thiadiazol-5-amine?
N-(cyclohexylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 197.31 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).