5-ethyl-N-[1-(2-methoxy-4-methylphenyl)ethyl]-1,3,4-thiadiazol-2-amine

C14H19N3OS — CID 107648085

IUPAC5-ethyl-N-[1-(2-methoxy-4-methylphenyl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC(C)c2ccc(C)cc2OC)s1
InChIInChI=1S/C14H19N3OS/c1-5-13-16-17-14(19-13)15-10(3)11-7-6-9(2)8-12(11)18-4/h6-8,10H,5H2,1-4H3,(H,15,17)
InChIKeyYWXQRRIFBBGBNQ-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.59
Rot. Bonds5

About 5-ethyl-N-[1-(2-methoxy-4-methylphenyl)ethyl]-1,3,4-thiadiazol-2-amine

5-ethyl-N-[1-(2-methoxy-4-methylphenyl)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 107648085) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 5-ethyl-N-[1-(2-methoxy-4-methylphenyl)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-[1-(2-methoxy-4-methylphenyl)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID107648085
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name5-ethyl-N-[1-(2-methoxy-4-methylphenyl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC(C)c2ccc(C)cc2OC)s1
InChIInChI=1S/C14H19N3OS/c1-5-13-16-17-14(19-13)15-10(3)11-7-6-9(2)8-12(11)18-4/h6-8,10H,5H2,1-4H3,(H,15,17)
InChIKeyYWXQRRIFBBGBNQ-UHFFFAOYSA-N
XLogP3.59
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,4-dimethylphenyl)ethyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260814
4-ethyl-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43764329
N-[1-(4-bromo-2-chlorophenyl)ethyl]-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107647955
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxy-5-methylphenyl)acetamide
CID 9192627
2-methoxy-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43757835
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylaniline
CID 43755641
N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxy-5-methylphenyl)butanediamide
CID 934244
N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylaniline
CID 43766137
2-bromo-N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylaniline
CID 43757713
2-methoxy-4-[1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]phenol
CID 106260758
4-methoxy-2-[1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]phenol
CID 106261095
2,4,5-trichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43759088

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[1-(2-methoxy-4-methylphenyl)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-ethyl-N-[1-(2-methoxy-4-methylphenyl)ethyl]-1,3,4-thiadiazol-2-amine (CID 107648085) is 5-ethyl-N-[1-(2-methoxy-4-methylphenyl)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-[1-(2-methoxy-4-methylphenyl)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-ethyl-N-[1-(2-methoxy-4-methylphenyl)ethyl]-1,3,4-thiadiazol-2-amine is CCc1nnc(NC(C)c2ccc(C)cc2OC)s1.
What is the InChIKey of 5-ethyl-N-[1-(2-methoxy-4-methylphenyl)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is YWXQRRIFBBGBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-5-13-16-17-14(19-13)15-10(3)11-7-6-9(2)8-12(11)18-4/h6-8,10H,5H2,1-4H3,(H,15,17).
What are the key properties of 5-ethyl-N-[1-(2-methoxy-4-methylphenyl)ethyl]-1,3,4-thiadiazol-2-amine?
5-ethyl-N-[1-(2-methoxy-4-methylphenyl)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 277.39 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[1-(2-methoxy-4-methylphenyl)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107648085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).