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

C13H17N3S — CID 12905140

IUPAC2-ethyl-6-methyl-N-[(4-methyl-1,2,5-thiadiazol-3-yl)methyl]aniline
SMILESCCc1cccc(C)c1NCc1nsnc1C
InChIInChI=1S/C13H17N3S/c1-4-11-7-5-6-9(2)13(11)14-8-12-10(3)15-17-16-12/h5-7,14H,4,8H2,1-3H3
InChIKeyHKYKQLOMDHIUSS-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.33
Rot. Bonds4

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

2-ethyl-6-methyl-N-[(4-methyl-1,2,5-thiadiazol-3-yl)methyl]aniline (PubChem CID 12905140) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 2-ethyl-6-methyl-N-[(4-methyl-1,2,5-thiadiazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name2-ethyl-6-methyl-N-[(4-methyl-1,2,5-thiadiazol-3-yl)methyl]aniline
PubChem CID12905140
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name2-ethyl-6-methyl-N-[(4-methyl-1,2,5-thiadiazol-3-yl)methyl]aniline
SMILESCCc1cccc(C)c1NCc1nsnc1C
InChIInChI=1S/C13H17N3S/c1-4-11-7-5-6-9(2)13(11)14-8-12-10(3)15-17-16-12/h5-7,14H,4,8H2,1-3H3
InChIKeyHKYKQLOMDHIUSS-UHFFFAOYSA-N
XLogP3.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,6-dichlorophenyl)methyl]-2-ethyl-6-methylaniline
CID 63448215
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-6-methylaniline
CID 83092684
N-[(4-chlorophenyl)methyl]-2-ethyl-6-methylaniline
CID 54798399
2-ethyl-6-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62475131
2-ethyl-N-[(5-methoxy-1,3,4-thiadiazol-2-yl)methyl]-6-methylaniline
CID 23462300
5-[(2-ethyl-6-methylanilino)methyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 23462182
N-[(5-bromo-1,3,4-oxadiazol-2-yl)methyl]-2-ethyl-6-methylaniline
CID 23462354
2-ethyl-N-(furan-3-ylmethyl)-6-methylaniline
CID 63204552
2-ethyl-6-methyl-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66409186
N-(2,4-dimethylpentyl)-2-ethyl-6-methylaniline
CID 114200632
2-ethyl-N-[(5-iodofuran-2-yl)methyl]-6-methylaniline
CID 54862209
N-[2-[(2-ethyl-6-methylanilino)methyl]phenyl]acetamide
CID 66417086

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-N-[(4-methyl-1,2,5-thiadiazol-3-yl)methyl]aniline?
The IUPAC name of 2-ethyl-6-methyl-N-[(4-methyl-1,2,5-thiadiazol-3-yl)methyl]aniline (CID 12905140) is 2-ethyl-6-methyl-N-[(4-methyl-1,2,5-thiadiazol-3-yl)methyl]aniline.
What is the SMILES notation for 2-ethyl-6-methyl-N-[(4-methyl-1,2,5-thiadiazol-3-yl)methyl]aniline?
The canonical SMILES for 2-ethyl-6-methyl-N-[(4-methyl-1,2,5-thiadiazol-3-yl)methyl]aniline is CCc1cccc(C)c1NCc1nsnc1C.
What is the InChIKey of 2-ethyl-6-methyl-N-[(4-methyl-1,2,5-thiadiazol-3-yl)methyl]aniline?
The InChIKey is HKYKQLOMDHIUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-4-11-7-5-6-9(2)13(11)14-8-12-10(3)15-17-16-12/h5-7,14H,4,8H2,1-3H3.
What are the key properties of 2-ethyl-6-methyl-N-[(4-methyl-1,2,5-thiadiazol-3-yl)methyl]aniline?
2-ethyl-6-methyl-N-[(4-methyl-1,2,5-thiadiazol-3-yl)methyl]aniline has a molecular weight of 247.37 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-N-[(4-methyl-1,2,5-thiadiazol-3-yl)methyl]aniline is sourced from PubChem (CID 12905140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).