4-[(3,4-dimethylcyclohexyl)oxymethyl]-N-methylthiadiazol-5-amine

C12H21N3OS — CID 64747166

IUPAC4-[(3,4-dimethylcyclohexyl)oxymethyl]-N-methylthiadiazol-5-amine
SMILESCNc1snnc1COC1CCC(C)C(C)C1
InChIInChI=1S/C12H21N3OS/c1-8-4-5-10(6-9(8)2)16-7-11-12(13-3)17-15-14-11/h8-10,13H,4-7H2,1-3H3
InChIKeyQBAQTDIQWDAUIW-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.92
Rot. Bonds4

About 4-[(3,4-dimethylcyclohexyl)oxymethyl]-N-methylthiadiazol-5-amine

4-[(3,4-dimethylcyclohexyl)oxymethyl]-N-methylthiadiazol-5-amine (PubChem CID 64747166) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 4-[(3,4-dimethylcyclohexyl)oxymethyl]-N-methylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[(3,4-dimethylcyclohexyl)oxymethyl]-N-methylthiadiazol-5-amine
PubChem CID64747166
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name4-[(3,4-dimethylcyclohexyl)oxymethyl]-N-methylthiadiazol-5-amine
SMILESCNc1snnc1COC1CCC(C)C(C)C1
InChIInChI=1S/C12H21N3OS/c1-8-4-5-10(6-9(8)2)16-7-11-12(13-3)17-15-14-11/h8-10,13H,4-7H2,1-3H3
InChIKeyQBAQTDIQWDAUIW-UHFFFAOYSA-N
XLogP2.92
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyclopentyloxymethyl)-N-methylthiadiazol-5-amine
CID 62193841
[4-[(3,5-dimethylcyclohexyl)oxymethyl]thiadiazol-5-yl]hydrazine
CID 64730255
4-(cyclohexyloxymethyl)-N-ethylthiadiazol-5-amine
CID 62194902
N-methyl-4-(octoxymethyl)thiadiazol-5-amine
CID 62193245
N-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]thiadiazol-5-amine
CID 62182093
N-methyl-4-(oxan-2-ylmethoxymethyl)thiadiazol-5-amine
CID 62195509
4-(2-butoxyethoxymethyl)-N-methylthiadiazol-5-amine
CID 62194288
2-[1-[[5-(methylamino)thiadiazol-4-yl]methyl]piperidin-4-yl]oxyethanol
CID 82691379
4-[[cyclohexyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine
CID 62183035
N-methyl-4-[(2,4,6-trimethylphenoxy)methyl]thiadiazol-5-amine
CID 62188547
4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propylthiadiazol-5-amine
CID 63486191
4-(cyclobutyloxymethyl)thiadiazol-5-amine
CID 62190108

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylcyclohexyl)oxymethyl]-N-methylthiadiazol-5-amine?
The IUPAC name of 4-[(3,4-dimethylcyclohexyl)oxymethyl]-N-methylthiadiazol-5-amine (CID 64747166) is 4-[(3,4-dimethylcyclohexyl)oxymethyl]-N-methylthiadiazol-5-amine.
What is the SMILES notation for 4-[(3,4-dimethylcyclohexyl)oxymethyl]-N-methylthiadiazol-5-amine?
The canonical SMILES for 4-[(3,4-dimethylcyclohexyl)oxymethyl]-N-methylthiadiazol-5-amine is CNc1snnc1COC1CCC(C)C(C)C1.
What is the InChIKey of 4-[(3,4-dimethylcyclohexyl)oxymethyl]-N-methylthiadiazol-5-amine?
The InChIKey is QBAQTDIQWDAUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-8-4-5-10(6-9(8)2)16-7-11-12(13-3)17-15-14-11/h8-10,13H,4-7H2,1-3H3.
What are the key properties of 4-[(3,4-dimethylcyclohexyl)oxymethyl]-N-methylthiadiazol-5-amine?
4-[(3,4-dimethylcyclohexyl)oxymethyl]-N-methylthiadiazol-5-amine has a molecular weight of 255.39 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylcyclohexyl)oxymethyl]-N-methylthiadiazol-5-amine is sourced from PubChem (CID 64747166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).