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

C12H22N4S — CID 80606791

IUPACN-methyl-5-[[methyl-(3-methylcyclohexyl)amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(CN(C)C2CCCC(C)C2)s1
InChIInChI=1S/C12H22N4S/c1-9-5-4-6-10(7-9)16(3)8-11-14-15-12(13-2)17-11/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyMYTKRBDPWWHOIM-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.59
Rot. Bonds4

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

N-methyl-5-[[methyl-(3-methylcyclohexyl)amino]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80606791) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is N-methyl-5-[[methyl-(3-methylcyclohexyl)amino]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[[methyl-(3-methylcyclohexyl)amino]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID80606791
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC NameN-methyl-5-[[methyl-(3-methylcyclohexyl)amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(CN(C)C2CCCC(C)C2)s1
InChIInChI=1S/C12H22N4S/c1-9-5-4-6-10(7-9)16(3)8-11-14-15-12(13-2)17-11/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyMYTKRBDPWWHOIM-UHFFFAOYSA-N
XLogP2.59
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[cyclopentyl(methyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80606273
5-[[cyclohexyl(methyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80606870
N-methyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607132
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylcyclohexanamine
CID 80613778
5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80608789
N-ethyl-5-[[(4-ethylcyclohexyl)-methylamino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607246
5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80606718
N-ethyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607133
5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 105416959
N,N,N'-trimethyl-N'-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]propane-1,3-diamine
CID 80608780
(3S)-N-ethyl-N,3-dimethylcycloheptan-1-amine
CID 171506165
N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 55073598

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[methyl-(3-methylcyclohexyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methyl-5-[[methyl-(3-methylcyclohexyl)amino]methyl]-1,3,4-thiadiazol-2-amine (CID 80606791) is N-methyl-5-[[methyl-(3-methylcyclohexyl)amino]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methyl-5-[[methyl-(3-methylcyclohexyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methyl-5-[[methyl-(3-methylcyclohexyl)amino]methyl]-1,3,4-thiadiazol-2-amine is CNc1nnc(CN(C)C2CCCC(C)C2)s1.
What is the InChIKey of N-methyl-5-[[methyl-(3-methylcyclohexyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is MYTKRBDPWWHOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-9-5-4-6-10(7-9)16(3)8-11-14-15-12(13-2)17-11/h9-10H,4-8H2,1-3H3,(H,13,15).
What are the key properties of N-methyl-5-[[methyl-(3-methylcyclohexyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
N-methyl-5-[[methyl-(3-methylcyclohexyl)amino]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 254.40 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[methyl-(3-methylcyclohexyl)amino]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80606791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).