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

C10H17N3S — CID 65267621

IUPAC3-methyl-N-(4-methylcyclohexyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC2CCC(C)CC2)n1
InChIInChI=1S/C10H17N3S/c1-7-3-5-9(6-4-7)12-10-11-8(2)13-14-10/h7,9H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyKFLSVZIKBCHOQQ-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.84
Rot. Bonds2

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

3-methyl-N-(4-methylcyclohexyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65267621) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 3-methyl-N-(4-methylcyclohexyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(4-methylcyclohexyl)-1,2,4-thiadiazol-5-amine
PubChem CID65267621
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name3-methyl-N-(4-methylcyclohexyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC2CCC(C)CC2)n1
InChIInChI=1S/C10H17N3S/c1-7-3-5-9(6-4-7)12-10-11-8(2)13-14-10/h7,9H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyKFLSVZIKBCHOQQ-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-tert-butyl-N-cycloheptyl-1,2,4-thiadiazol-5-amine
CID 65270923
3-cyclopropyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-1,2,4-thiadiazol-5-amine
CID 91644106
N-[4-[(tert-butylsulfanylamino)methyl]cyclohexyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 89986770
N-cyclohexyl-3-methyl-1,2,4-thiadiazol-5-amine
CID 12725102
N-[(3-aminocyclohexyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 106128078
N-(2,3-dimethylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304679
N-(2-methylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304681
N-(cyclohexylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304706
N-(2-cyclohexylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304747
N-[(4-ethylcyclohexyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304760
N-(2-ethylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304827
N-(4-ethylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304828

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methylcyclohexyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-(4-methylcyclohexyl)-1,2,4-thiadiazol-5-amine (CID 65267621) is 3-methyl-N-(4-methylcyclohexyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-(4-methylcyclohexyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-(4-methylcyclohexyl)-1,2,4-thiadiazol-5-amine is Cc1nsc(NC2CCC(C)CC2)n1.
What is the InChIKey of 3-methyl-N-(4-methylcyclohexyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is KFLSVZIKBCHOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-7-3-5-9(6-4-7)12-10-11-8(2)13-14-10/h7,9H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of 3-methyl-N-(4-methylcyclohexyl)-1,2,4-thiadiazol-5-amine?
3-methyl-N-(4-methylcyclohexyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 211.33 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylcyclohexyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).