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

C13H24N4S — CID 80607133

IUPACN-ethyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CN(C)C2CCCCC2C)s1
InChIInChI=1S/C13H24N4S/c1-4-14-13-16-15-12(18-13)9-17(3)11-8-6-5-7-10(11)2/h10-11H,4-9H2,1-3H3,(H,14,16)
InChIKeyFVYAZZNJOMZAQN-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.98
Rot. Bonds5

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

N-ethyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80607133) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is N-ethyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID80607133
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC NameN-ethyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CN(C)C2CCCCC2C)s1
InChIInChI=1S/C13H24N4S/c1-4-14-13-16-15-12(18-13)9-17(3)11-8-6-5-7-10(11)2/h10-11H,4-9H2,1-3H3,(H,14,16)
InChIKeyFVYAZZNJOMZAQN-UHFFFAOYSA-N
XLogP2.98
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607132
trans-(1R,2R)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 129446199
N-ethyl-5-[[(4-ethylcyclohexyl)-methylamino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607246
5-[[cyclopentyl(ethyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80606575
N-ethyl-4-[[methyl-(2-methylcyclohexyl)amino]methyl]thiadiazol-5-amine
CID 62207726
5-[[cyclopropyl(propyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80606877
5-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80607629
5-[[cyclopentyl(methyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80606273
N-ethyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]pyridin-2-amine
CID 62208080
2-[cyclopentyl-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide
CID 80606596
5-[[cyclohexyl(methyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80606870
5-(cyclopentylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80614368

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3,4-thiadiazol-2-amine (CID 80607133) is N-ethyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3,4-thiadiazol-2-amine is CCNc1nnc(CN(C)C2CCCCC2C)s1.
What is the InChIKey of N-ethyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is FVYAZZNJOMZAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-4-14-13-16-15-12(18-13)9-17(3)11-8-6-5-7-10(11)2/h10-11H,4-9H2,1-3H3,(H,14,16).
What are the key properties of N-ethyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
N-ethyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 268.43 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80607133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).