4-[(4-chlorophenyl)methoxymethyl]-N-propylthiadiazol-5-amine

C13H16ClN3OS — CID 65125240

IUPAC4-[(4-chlorophenyl)methoxymethyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1COCc1ccc(Cl)cc1
InChIInChI=1S/C13H16ClN3OS/c1-2-7-15-13-12(16-17-19-13)9-18-8-10-3-5-11(14)6-4-10/h3-6,15H,2,7-9H2,1H3
InChIKeyWTMNDKKZCWPBOZ-UHFFFAOYSA-N
MW297.81 g/mol
LogP3.73
Rot. Bonds7

About 4-[(4-chlorophenyl)methoxymethyl]-N-propylthiadiazol-5-amine

4-[(4-chlorophenyl)methoxymethyl]-N-propylthiadiazol-5-amine (PubChem CID 65125240) has the molecular formula C13H16ClN3OS and a molecular weight of 297.81 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxymethyl]-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxymethyl]-N-propylthiadiazol-5-amine
PubChem CID65125240
Molecular FormulaC13H16ClN3OS
Molecular Weight297.81 g/mol
Exact Mass297.07
IUPAC Name4-[(4-chlorophenyl)methoxymethyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1COCc1ccc(Cl)cc1
InChIInChI=1S/C13H16ClN3OS/c1-2-7-15-13-12(16-17-19-13)9-18-8-10-3-5-11(14)6-4-10/h3-6,15H,2,7-9H2,1H3
InChIKeyWTMNDKKZCWPBOZ-UHFFFAOYSA-N
XLogP3.73
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-[(4-methoxyphenyl)methoxymethyl]thiadiazol-5-amine
CID 62193780
4-(2-butoxyethoxymethyl)-N-propylthiadiazol-5-amine
CID 55045214
4-(heptoxymethyl)-N-propylthiadiazol-5-amine
CID 55044886
4-(3-methylbutoxymethyl)-N-propylthiadiazol-5-amine
CID 62194969
N-propyl-4-[(2,3,5,6-tetrafluorophenoxy)methyl]thiadiazol-5-amine
CID 103290199
4-[(3-ethylphenoxy)methyl]-N-propylthiadiazol-5-amine
CID 55045166
4-[[3-(methoxymethyl)phenoxy]methyl]-N-propylthiadiazol-5-amine
CID 63985599
4-[[(4-chlorophenyl)methyl-methylamino]methyl]-N-ethylthiadiazol-5-amine
CID 62207936
4-[(5-fluoro-2-methylphenoxy)methyl]-N-propylthiadiazol-5-amine
CID 102984989
3-[(4-chlorophenyl)methoxymethyl]-N-propylpyridin-2-amine
CID 65125822
4-[(2-methoxy-4-methylphenoxy)methyl]-N-propylthiadiazol-5-amine
CID 62195666
4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine
CID 62183869

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxymethyl]-N-propylthiadiazol-5-amine?
The IUPAC name of 4-[(4-chlorophenyl)methoxymethyl]-N-propylthiadiazol-5-amine (CID 65125240) is 4-[(4-chlorophenyl)methoxymethyl]-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxymethyl]-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-[(4-chlorophenyl)methoxymethyl]-N-propylthiadiazol-5-amine is CCCNc1snnc1COCc1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methoxymethyl]-N-propylthiadiazol-5-amine?
The InChIKey is WTMNDKKZCWPBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3OS/c1-2-7-15-13-12(16-17-19-13)9-18-8-10-3-5-11(14)6-4-10/h3-6,15H,2,7-9H2,1H3.
What are the key properties of 4-[(4-chlorophenyl)methoxymethyl]-N-propylthiadiazol-5-amine?
4-[(4-chlorophenyl)methoxymethyl]-N-propylthiadiazol-5-amine has a molecular weight of 297.81 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methoxymethyl]-N-propylthiadiazol-5-amine is sourced from PubChem (CID 65125240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).