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

C10H18N4S — CID 80606273

IUPAC5-[[cyclopentyl(methyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(CN(C)C2CCCC2)s1
InChIInChI=1S/C10H18N4S/c1-11-10-13-12-9(15-10)7-14(2)8-5-3-4-6-8/h8H,3-7H2,1-2H3,(H,11,13)
InChIKeyRQMLWJZJPRUAQV-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.95
Rot. Bonds4

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

5-[[cyclopentyl(methyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 80606273) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 5-[[cyclopentyl(methyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[cyclopentyl(methyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID80606273
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name5-[[cyclopentyl(methyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(CN(C)C2CCCC2)s1
InChIInChI=1S/C10H18N4S/c1-11-10-13-12-9(15-10)7-14(2)8-5-3-4-6-8/h8H,3-7H2,1-2H3,(H,11,13)
InChIKeyRQMLWJZJPRUAQV-UHFFFAOYSA-N
XLogP1.95
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[cyclohexyl(methyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80606870
N-methyl-5-[[methyl-(3-methylcyclohexyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80606791
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylcyclohexanamine
CID 80613778
N-methyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607132
N-ethyl-5-[[(4-ethylcyclohexyl)-methylamino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607246
5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80608789
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-[[cyclopentyl(ethyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80606575
5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 105416959
4-[[cyclohexyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine
CID 62183035
N,N,N'-trimethyl-N'-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]propane-1,3-diamine
CID 80608780

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopentyl(methyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[cyclopentyl(methyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine (CID 80606273) is 5-[[cyclopentyl(methyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[cyclopentyl(methyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[cyclopentyl(methyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine is CNc1nnc(CN(C)C2CCCC2)s1.
What is the InChIKey of 5-[[cyclopentyl(methyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is RQMLWJZJPRUAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-11-10-13-12-9(15-10)7-14(2)8-5-3-4-6-8/h8H,3-7H2,1-2H3,(H,11,13).
What are the key properties of 5-[[cyclopentyl(methyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
5-[[cyclopentyl(methyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 226.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopentyl(methyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80606273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).