5-N-methyl-5-N-(4-methylcyclohexyl)-1,2,4-thiadiazole-3,5-diamine

C10H18N4S — CID 66280113

IUPAC5-N-methyl-5-N-(4-methylcyclohexyl)-1,2,4-thiadiazole-3,5-diamine
SMILESCC1CCC(N(C)c2nc(N)ns2)CC1
InChIInChI=1S/C10H18N4S/c1-7-3-5-8(6-4-7)14(2)10-12-9(11)13-15-10/h7-8H,3-6H2,1-2H3,(H2,11,13)
InChIKeyIZFSKMDUKLENSB-UHFFFAOYSA-N
MW226.35 g/mol
LogP2.14
Rot. Bonds2

About 5-N-methyl-5-N-(4-methylcyclohexyl)-1,2,4-thiadiazole-3,5-diamine

5-N-methyl-5-N-(4-methylcyclohexyl)-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66280113) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 5-N-methyl-5-N-(4-methylcyclohexyl)-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-methyl-5-N-(4-methylcyclohexyl)-1,2,4-thiadiazole-3,5-diamine
PubChem CID66280113
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name5-N-methyl-5-N-(4-methylcyclohexyl)-1,2,4-thiadiazole-3,5-diamine
SMILESCC1CCC(N(C)c2nc(N)ns2)CC1
InChIInChI=1S/C10H18N4S/c1-7-3-5-8(6-4-7)14(2)10-12-9(11)13-15-10/h7-8H,3-6H2,1-2H3,(H2,11,13)
InChIKeyIZFSKMDUKLENSB-UHFFFAOYSA-N
XLogP2.14
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-cycloheptyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine
CID 66278795
2-N-methyl-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine
CID 140510686
N,3-dicyclopropyl-N-methyl-1,2,4-thiadiazol-5-amine
CID 131179833
2-N,6-dimethyl-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 112746078
1-N,4-N-dimethyl-4-N-(3-methyl-1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine
CID 79111027
4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4,6-triamine
CID 80799744
4-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79110800
5-N,5-N-dipropyl-1,2,4-thiadiazole-3,5-diamine
CID 66280567
2-N-cyclopropyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80774808
6-methoxy-4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine
CID 113268090
4-chloro-N-methyl-N-(4-methylcyclohexyl)-1,2,5-thiadiazol-3-amine
CID 61439337
ethyl 5-methyl-2-[methyl-(4-methylcyclohexyl)amino]-1,3-thiazole-4-carboxylate
CID 116526736

Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-5-N-(4-methylcyclohexyl)-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-methyl-5-N-(4-methylcyclohexyl)-1,2,4-thiadiazole-3,5-diamine (CID 66280113) is 5-N-methyl-5-N-(4-methylcyclohexyl)-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-methyl-5-N-(4-methylcyclohexyl)-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-methyl-5-N-(4-methylcyclohexyl)-1,2,4-thiadiazole-3,5-diamine is CC1CCC(N(C)c2nc(N)ns2)CC1.
What is the InChIKey of 5-N-methyl-5-N-(4-methylcyclohexyl)-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is IZFSKMDUKLENSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-7-3-5-8(6-4-7)14(2)10-12-9(11)13-15-10/h7-8H,3-6H2,1-2H3,(H2,11,13).
What are the key properties of 5-N-methyl-5-N-(4-methylcyclohexyl)-1,2,4-thiadiazole-3,5-diamine?
5-N-methyl-5-N-(4-methylcyclohexyl)-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 226.35 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methyl-5-N-(4-methylcyclohexyl)-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66280113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).