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

C14H26N4S — CID 80607246

IUPACN-ethyl-5-[[(4-ethylcyclohexyl)-methylamino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CN(C)C2CCC(CC)CC2)s1
InChIInChI=1S/C14H26N4S/c1-4-11-6-8-12(9-7-11)18(3)10-13-16-17-14(19-13)15-5-2/h11-12H,4-10H2,1-3H3,(H,15,17)
InChIKeyWAYNEQJDMSAFIL-UHFFFAOYSA-N
MW282.46 g/mol
LogP3.37
Rot. Bonds6

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

N-ethyl-5-[[(4-ethylcyclohexyl)-methylamino]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80607246) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is N-ethyl-5-[[(4-ethylcyclohexyl)-methylamino]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[[(4-ethylcyclohexyl)-methylamino]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID80607246
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC NameN-ethyl-5-[[(4-ethylcyclohexyl)-methylamino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CN(C)C2CCC(CC)CC2)s1
InChIInChI=1S/C14H26N4S/c1-4-11-6-8-12(9-7-11)18(3)10-13-16-17-14(19-13)15-5-2/h11-12H,4-10H2,1-3H3,(H,15,17)
InChIKeyWAYNEQJDMSAFIL-UHFFFAOYSA-N
XLogP3.37
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607133
5-[[cyclopropyl(propyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80606877
5-[[cyclopentyl(methyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80606273
5-[[cyclopentyl(ethyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80606575
5-[[cyclohexyl(methyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80606870
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylcyclohexanamine
CID 80613778
5-[[bis(cyclopropylmethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80608516
2-[cyclopentyl-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide
CID 80606596
N-[[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]methyl]-4-ethyl-N-methylcyclohexan-1-amine
CID 62413200
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]propan-1-ol
CID 104554428
N-ethyl-4-[[(4-ethylcyclohexyl)-methylamino]methyl]pyridin-2-amine
CID 62466649
N-ethyl-5-[(4-ethyl-N-methylanilino)methyl]-1,3,4-thiadiazol-2-amine
CID 80607542

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[[(4-ethylcyclohexyl)-methylamino]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-[[(4-ethylcyclohexyl)-methylamino]methyl]-1,3,4-thiadiazol-2-amine (CID 80607246) is N-ethyl-5-[[(4-ethylcyclohexyl)-methylamino]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[[(4-ethylcyclohexyl)-methylamino]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-[[(4-ethylcyclohexyl)-methylamino]methyl]-1,3,4-thiadiazol-2-amine is CCNc1nnc(CN(C)C2CCC(CC)CC2)s1.
What is the InChIKey of N-ethyl-5-[[(4-ethylcyclohexyl)-methylamino]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is WAYNEQJDMSAFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-4-11-6-8-12(9-7-11)18(3)10-13-16-17-14(19-13)15-5-2/h11-12H,4-10H2,1-3H3,(H,15,17).
What are the key properties of N-ethyl-5-[[(4-ethylcyclohexyl)-methylamino]methyl]-1,3,4-thiadiazol-2-amine?
N-ethyl-5-[[(4-ethylcyclohexyl)-methylamino]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 282.46 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[[(4-ethylcyclohexyl)-methylamino]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80607246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).