4-[[methyl-(4-methylcyclohexyl)amino]methyl]thiadiazol-5-amine

C11H20N4S — CID 62209667

IUPAC4-[[methyl-(4-methylcyclohexyl)amino]methyl]thiadiazol-5-amine
SMILESCC1CCC(N(C)Cc2nnsc2N)CC1
InChIInChI=1S/C11H20N4S/c1-8-3-5-9(6-4-8)15(2)7-10-11(12)16-14-13-10/h8-9H,3-7,12H2,1-2H3
InChIKeySOSSXIFVVMNWDB-UHFFFAOYSA-N
MW240.38 g/mol
LogP2.13
Rot. Bonds3

About 4-[[methyl-(4-methylcyclohexyl)amino]methyl]thiadiazol-5-amine

4-[[methyl-(4-methylcyclohexyl)amino]methyl]thiadiazol-5-amine (PubChem CID 62209667) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 4-[[methyl-(4-methylcyclohexyl)amino]methyl]thiadiazol-5-amine.

Molecular Properties

Compound Name4-[[methyl-(4-methylcyclohexyl)amino]methyl]thiadiazol-5-amine
PubChem CID62209667
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name4-[[methyl-(4-methylcyclohexyl)amino]methyl]thiadiazol-5-amine
SMILESCC1CCC(N(C)Cc2nnsc2N)CC1
InChIInChI=1S/C11H20N4S/c1-8-3-5-9(6-4-8)15(2)7-10-11(12)16-14-13-10/h8-9H,3-7,12H2,1-2H3
InChIKeySOSSXIFVVMNWDB-UHFFFAOYSA-N
XLogP2.13
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[methyl(thiolan-3-yl)amino]methyl]thiadiazol-5-amine
CID 62182739
4-ethyl-N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methylcyclohexan-1-amine
CID 62244219
4-[[methyl(oxan-4-ylmethyl)amino]methyl]thiadiazol-5-amine
CID 63711122
N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N,1-dimethylpiperidin-4-amine
CID 62245370
4-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline
CID 55135728
4-[[cyclohexyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine
CID 62183035
1-ethyl-N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methylpiperidin-4-amine
CID 62244769
2-[(5-aminothiadiazol-4-yl)methyl-methylamino]-N-cyclopropylacetamide
CID 62209102
3-[[methyl-(4-methylcyclohexyl)amino]methyl]pyridin-2-amine
CID 62465216
N,4-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine
CID 100666541
N-ethyl-4-[[methyl-(2-methylcyclohexyl)amino]methyl]thiadiazol-5-amine
CID 62207726
N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidin-4-amine
CID 71970602

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-(4-methylcyclohexyl)amino]methyl]thiadiazol-5-amine?
The IUPAC name of 4-[[methyl-(4-methylcyclohexyl)amino]methyl]thiadiazol-5-amine (CID 62209667) is 4-[[methyl-(4-methylcyclohexyl)amino]methyl]thiadiazol-5-amine.
What is the SMILES notation for 4-[[methyl-(4-methylcyclohexyl)amino]methyl]thiadiazol-5-amine?
The canonical SMILES for 4-[[methyl-(4-methylcyclohexyl)amino]methyl]thiadiazol-5-amine is CC1CCC(N(C)Cc2nnsc2N)CC1.
What is the InChIKey of 4-[[methyl-(4-methylcyclohexyl)amino]methyl]thiadiazol-5-amine?
The InChIKey is SOSSXIFVVMNWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-8-3-5-9(6-4-8)15(2)7-10-11(12)16-14-13-10/h8-9H,3-7,12H2,1-2H3.
What are the key properties of 4-[[methyl-(4-methylcyclohexyl)amino]methyl]thiadiazol-5-amine?
4-[[methyl-(4-methylcyclohexyl)amino]methyl]thiadiazol-5-amine has a molecular weight of 240.38 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-(4-methylcyclohexyl)amino]methyl]thiadiazol-5-amine is sourced from PubChem (CID 62209667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).