N-[[2-(ethoxymethyl)phenyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine

C13H17N3OS — CID 64915379

IUPACN-[[2-(ethoxymethyl)phenyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCCOCc1ccccc1CNc1nnc(C)s1
InChIInChI=1S/C13H17N3OS/c1-3-17-9-12-7-5-4-6-11(12)8-14-13-16-15-10(2)18-13/h4-7H,3,8-9H2,1-2H3,(H,14,16)
InChIKeyDZKNQLIJKPPXPW-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.00
Rot. Bonds6

About N-[[2-(ethoxymethyl)phenyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine

N-[[2-(ethoxymethyl)phenyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 64915379) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N-[[2-(ethoxymethyl)phenyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[[2-(ethoxymethyl)phenyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID64915379
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN-[[2-(ethoxymethyl)phenyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCCOCc1ccccc1CNc1nnc(C)s1
InChIInChI=1S/C13H17N3OS/c1-3-17-9-12-7-5-4-6-11(12)8-14-13-16-15-10(2)18-13/h4-7H,3,8-9H2,1-2H3,(H,14,16)
InChIKeyDZKNQLIJKPPXPW-UHFFFAOYSA-N
XLogP3.00
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]benzoate
CID 107648318
N-[(3-amino-2-methylphenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 103110802
2-methoxy-6-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]phenol
CID 83310077
N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyridazin-3-amine
CID 106549558
5-methyl-N-(quinolin-8-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 79002594
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]ethanamine
CID 60924424
2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-2-methylpropanamide
CID 61266399
5-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 64982615
N-[(2-bromo-5-chlorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 115924962
3-bromo-N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyridin-2-amine
CID 105366749
5-bromo-N-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64625511
3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]-1H-quinolin-2-one
CID 103934132

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine (CID 64915379) is N-[[2-(ethoxymethyl)phenyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[[2-(ethoxymethyl)phenyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[[2-(ethoxymethyl)phenyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine is CCOCc1ccccc1CNc1nnc(C)s1.
What is the InChIKey of N-[[2-(ethoxymethyl)phenyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is DZKNQLIJKPPXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-3-17-9-12-7-5-4-6-11(12)8-14-13-16-15-10(2)18-13/h4-7H,3,8-9H2,1-2H3,(H,14,16).
What are the key properties of N-[[2-(ethoxymethyl)phenyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
N-[[2-(ethoxymethyl)phenyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 263.37 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethoxymethyl)phenyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64915379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).