5-[(2-ethyl-6-methylanilino)methyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C14H20N4S — CID 23462182

IUPAC5-[(2-ethyl-6-methylanilino)methyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCc1cccc(C)c1NCc1nnc(N(C)C)s1
InChIInChI=1S/C14H20N4S/c1-5-11-8-6-7-10(2)13(11)15-9-12-16-17-14(19-12)18(3)4/h6-8,15H,5,9H2,1-4H3
InChIKeyCVKSTCQGKDLCKC-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.09
Rot. Bonds5

About 5-[(2-ethyl-6-methylanilino)methyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-[(2-ethyl-6-methylanilino)methyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 23462182) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 5-[(2-ethyl-6-methylanilino)methyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(2-ethyl-6-methylanilino)methyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID23462182
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name5-[(2-ethyl-6-methylanilino)methyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCc1cccc(C)c1NCc1nnc(N(C)C)s1
InChIInChI=1S/C14H20N4S/c1-5-11-8-6-7-10(2)13(11)15-9-12-16-17-14(19-12)18(3)4/h6-8,15H,5,9H2,1-4H3
InChIKeyCVKSTCQGKDLCKC-UHFFFAOYSA-N
XLogP3.09
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-[(5-methoxy-1,3,4-thiadiazol-2-yl)methyl]-6-methylaniline
CID 23462300
N-[[5-(chloromethyl)-1,3,4-thiadiazol-2-yl]methyl]-2,6-dimethylaniline
CID 23462298
2-ethyl-6-methyl-N-[(4-methyl-1,2,5-thiadiazol-3-yl)methyl]aniline
CID 12905140
N-[(2,6-dichlorophenyl)methyl]-2-ethyl-6-methylaniline
CID 63448215
N-[(5-bromo-1,3,4-oxadiazol-2-yl)methyl]-2-ethyl-6-methylaniline
CID 23462354
N-[(4-chlorophenyl)methyl]-2-ethyl-6-methylaniline
CID 54798399
2-ethyl-N-[(5-iodofuran-2-yl)methyl]-6-methylaniline
CID 54862209
5-[2-(2-aminophenyl)ethyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 82480391
2-ethyl-N-[(5-methoxy-1,3,4-oxadiazol-2-yl)methyl]-6-methylaniline
CID 23462284
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-6-methylaniline
CID 83092684
2-ethyl-N-(furan-3-ylmethyl)-6-methylaniline
CID 63204552
2-ethyl-6-methyl-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66409186

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethyl-6-methylanilino)methyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(2-ethyl-6-methylanilino)methyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 23462182) is 5-[(2-ethyl-6-methylanilino)methyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(2-ethyl-6-methylanilino)methyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(2-ethyl-6-methylanilino)methyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CCc1cccc(C)c1NCc1nnc(N(C)C)s1.
What is the InChIKey of 5-[(2-ethyl-6-methylanilino)methyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is CVKSTCQGKDLCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-5-11-8-6-7-10(2)13(11)15-9-12-16-17-14(19-12)18(3)4/h6-8,15H,5,9H2,1-4H3.
What are the key properties of 5-[(2-ethyl-6-methylanilino)methyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[(2-ethyl-6-methylanilino)methyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 276.41 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethyl-6-methylanilino)methyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 23462182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).