N-methyl-4-[(3-propan-2-ylphenoxy)methyl]thiadiazol-5-amine

C13H17N3OS — CID 62195635

IUPACN-methyl-4-[(3-propan-2-ylphenoxy)methyl]thiadiazol-5-amine
SMILESCNc1snnc1COc1cccc(C(C)C)c1
InChIInChI=1S/C13H17N3OS/c1-9(2)10-5-4-6-11(7-10)17-8-12-13(14-3)18-16-15-12/h4-7,9,14H,8H2,1-3H3
InChIKeyDOUSGRXTLPQAIO-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.28
Rot. Bonds5

About N-methyl-4-[(3-propan-2-ylphenoxy)methyl]thiadiazol-5-amine

N-methyl-4-[(3-propan-2-ylphenoxy)methyl]thiadiazol-5-amine (PubChem CID 62195635) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N-methyl-4-[(3-propan-2-ylphenoxy)methyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-methyl-4-[(3-propan-2-ylphenoxy)methyl]thiadiazol-5-amine
PubChem CID62195635
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN-methyl-4-[(3-propan-2-ylphenoxy)methyl]thiadiazol-5-amine
SMILESCNc1snnc1COc1cccc(C(C)C)c1
InChIInChI=1S/C13H17N3OS/c1-9(2)10-5-4-6-11(7-10)17-8-12-13(14-3)18-16-15-12/h4-7,9,14H,8H2,1-3H3
InChIKeyDOUSGRXTLPQAIO-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-ethylphenoxy)methyl]-N-methylthiadiazol-5-amine
CID 62195346
[4-[(3-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 62244685
N-methyl-4-[(2-methylsulfanylphenoxy)methyl]thiadiazol-5-amine
CID 55246729
4-[(3-ethylphenoxy)methyl]-N-propylthiadiazol-5-amine
CID 55045166
N-methyl-4-[(2-propoxyphenoxy)methyl]thiadiazol-5-amine
CID 62193214
4-[[3-(methoxymethyl)phenoxy]methyl]-N-propylthiadiazol-5-amine
CID 63985599
4-[(2,4-difluorophenoxy)methyl]-N-methylthiadiazol-5-amine
CID 62193681
4-[(3-bromophenyl)methoxymethyl]-N-methylthiadiazol-5-amine
CID 82832358
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
5-chloro-6-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine
CID 55127790
1-(2-methylpropoxy)-3-propan-2-ylbenzene
CID 23399142
2-(3-propan-2-ylphenoxy)ethanamine;hydrochloride
CID 178200701

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(3-propan-2-ylphenoxy)methyl]thiadiazol-5-amine?
The IUPAC name of N-methyl-4-[(3-propan-2-ylphenoxy)methyl]thiadiazol-5-amine (CID 62195635) is N-methyl-4-[(3-propan-2-ylphenoxy)methyl]thiadiazol-5-amine.
What is the SMILES notation for N-methyl-4-[(3-propan-2-ylphenoxy)methyl]thiadiazol-5-amine?
The canonical SMILES for N-methyl-4-[(3-propan-2-ylphenoxy)methyl]thiadiazol-5-amine is CNc1snnc1COc1cccc(C(C)C)c1.
What is the InChIKey of N-methyl-4-[(3-propan-2-ylphenoxy)methyl]thiadiazol-5-amine?
The InChIKey is DOUSGRXTLPQAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-9(2)10-5-4-6-11(7-10)17-8-12-13(14-3)18-16-15-12/h4-7,9,14H,8H2,1-3H3.
What are the key properties of N-methyl-4-[(3-propan-2-ylphenoxy)methyl]thiadiazol-5-amine?
N-methyl-4-[(3-propan-2-ylphenoxy)methyl]thiadiazol-5-amine has a molecular weight of 263.37 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(3-propan-2-ylphenoxy)methyl]thiadiazol-5-amine is sourced from PubChem (CID 62195635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).