2-ethyl-N-[(5-methoxy-1,3,4-thiadiazol-2-yl)methyl]-6-methylaniline

C13H17N3OS — CID 23462300

IUPAC2-ethyl-N-[(5-methoxy-1,3,4-thiadiazol-2-yl)methyl]-6-methylaniline
SMILESCCc1cccc(C)c1NCc1nnc(OC)s1
InChIInChI=1S/C13H17N3OS/c1-4-10-7-5-6-9(2)12(10)14-8-11-15-16-13(17-3)18-11/h5-7,14H,4,8H2,1-3H3
InChIKeyVQYORMGCYIRSMK-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.03
Rot. Bonds5

About 2-ethyl-N-[(5-methoxy-1,3,4-thiadiazol-2-yl)methyl]-6-methylaniline

2-ethyl-N-[(5-methoxy-1,3,4-thiadiazol-2-yl)methyl]-6-methylaniline (PubChem CID 23462300) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-ethyl-N-[(5-methoxy-1,3,4-thiadiazol-2-yl)methyl]-6-methylaniline.

Molecular Properties

Compound Name2-ethyl-N-[(5-methoxy-1,3,4-thiadiazol-2-yl)methyl]-6-methylaniline
PubChem CID23462300
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name2-ethyl-N-[(5-methoxy-1,3,4-thiadiazol-2-yl)methyl]-6-methylaniline
SMILESCCc1cccc(C)c1NCc1nnc(OC)s1
InChIInChI=1S/C13H17N3OS/c1-4-10-7-5-6-9(2)12(10)14-8-11-15-16-13(17-3)18-11/h5-7,14H,4,8H2,1-3H3
InChIKeyVQYORMGCYIRSMK-UHFFFAOYSA-N
XLogP3.03
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-ethyl-6-methylanilino)methyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 23462182
2-ethyl-N-[(5-methoxy-1,3,4-oxadiazol-2-yl)methyl]-6-methylaniline
CID 23462284
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-[(2,5-dimethoxyphenyl)methyl]-2-ethyl-6-methylaniline
CID 60924688
N-[(2,6-dichlorophenyl)methyl]-2-ethyl-6-methylaniline
CID 63448215
2-[(2-ethyl-6-methylanilino)methyl]-4-methoxyphenol
CID 60925001
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
N'-(2-ethyl-6-methylphenyl)-N-(2-methoxyphenyl)ethane-1,2-diamine
CID 54810086
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-6-methylaniline
CID 83092684

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(5-methoxy-1,3,4-thiadiazol-2-yl)methyl]-6-methylaniline?
The IUPAC name of 2-ethyl-N-[(5-methoxy-1,3,4-thiadiazol-2-yl)methyl]-6-methylaniline (CID 23462300) is 2-ethyl-N-[(5-methoxy-1,3,4-thiadiazol-2-yl)methyl]-6-methylaniline.
What is the SMILES notation for 2-ethyl-N-[(5-methoxy-1,3,4-thiadiazol-2-yl)methyl]-6-methylaniline?
The canonical SMILES for 2-ethyl-N-[(5-methoxy-1,3,4-thiadiazol-2-yl)methyl]-6-methylaniline is CCc1cccc(C)c1NCc1nnc(OC)s1.
What is the InChIKey of 2-ethyl-N-[(5-methoxy-1,3,4-thiadiazol-2-yl)methyl]-6-methylaniline?
The InChIKey is VQYORMGCYIRSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-4-10-7-5-6-9(2)12(10)14-8-11-15-16-13(17-3)18-11/h5-7,14H,4,8H2,1-3H3.
What are the key properties of 2-ethyl-N-[(5-methoxy-1,3,4-thiadiazol-2-yl)methyl]-6-methylaniline?
2-ethyl-N-[(5-methoxy-1,3,4-thiadiazol-2-yl)methyl]-6-methylaniline has a molecular weight of 263.37 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(5-methoxy-1,3,4-thiadiazol-2-yl)methyl]-6-methylaniline is sourced from PubChem (CID 23462300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).