N-ethyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiadiazol-5-amine

C15H21N3OS — CID 62189051

IUPACN-ethyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiadiazol-5-amine
SMILESCCNc1snnc1COc1cc(C(C)C)ccc1C
InChIInChI=1S/C15H21N3OS/c1-5-16-15-13(17-18-20-15)9-19-14-8-12(10(2)3)7-6-11(14)4/h6-8,10,16H,5,9H2,1-4H3
InChIKeyQACMCAFBZHYSPT-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.98
Rot. Bonds6

About N-ethyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiadiazol-5-amine

N-ethyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiadiazol-5-amine (PubChem CID 62189051) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is N-ethyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiadiazol-5-amine
PubChem CID62189051
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC NameN-ethyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiadiazol-5-amine
SMILESCCNc1snnc1COc1cc(C(C)C)ccc1C
InChIInChI=1S/C15H21N3OS/c1-5-16-15-13(17-18-20-15)9-19-14-8-12(10(2)3)7-6-11(14)4/h6-8,10,16H,5,9H2,1-4H3
InChIKeyQACMCAFBZHYSPT-UHFFFAOYSA-N
XLogP3.98
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiadiazole
CID 60673612
4-[(5-fluoro-2-methylphenoxy)methyl]-N-propylthiadiazol-5-amine
CID 102984989
4-[(4-bromo-2-chlorophenoxy)methyl]-N-ethylthiadiazol-5-amine
CID 62193786
[4-[(5-bromo-2-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 107285504
N-ethyl-4-[(2-fluoro-4-nitrophenoxy)methyl]thiadiazol-5-amine
CID 62195545
4-[(5-bromo-2-methylphenoxy)methyl]thiadiazol-5-amine
CID 107285489
N-methyl-4-[(3-propan-2-ylphenoxy)methyl]thiadiazol-5-amine
CID 62195635
4-[(2-methoxy-4-methylphenoxy)methyl]-N-propylthiadiazol-5-amine
CID 62195666
2-[(4-ethylphenyl)methoxy]-1-methyl-4-propan-2-ylbenzene
CID 81005543
N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)ethanamine
CID 61035897
2-chloro-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,3,4-thiadiazole
CID 80607054
2-(ethylamino)-4-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol
CID 64810580

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiadiazol-5-amine?
The IUPAC name of N-ethyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiadiazol-5-amine (CID 62189051) is N-ethyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiadiazol-5-amine?
The canonical SMILES for N-ethyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiadiazol-5-amine is CCNc1snnc1COc1cc(C(C)C)ccc1C.
What is the InChIKey of N-ethyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiadiazol-5-amine?
The InChIKey is QACMCAFBZHYSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-5-16-15-13(17-18-20-15)9-19-14-8-12(10(2)3)7-6-11(14)4/h6-8,10,16H,5,9H2,1-4H3.
What are the key properties of N-ethyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiadiazol-5-amine?
N-ethyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiadiazol-5-amine has a molecular weight of 291.42 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiadiazol-5-amine is sourced from PubChem (CID 62189051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).