N-[(3-cyclopropyloxyphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine

C15H19N3OS — CID 105188592

IUPACN-[(3-cyclopropyloxyphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
SMILESCCNC(c1cccc(OC2CC2)c1)c1snnc1C
InChIInChI=1S/C15H19N3OS/c1-3-16-14(15-10(2)17-18-20-15)11-5-4-6-13(9-11)19-12-7-8-12/h4-6,9,12,14,16H,3,7-8H2,1-2H3
InChIKeyZIACPVAFIDTPEG-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.09
Rot. Bonds6

About N-[(3-cyclopropyloxyphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine

N-[(3-cyclopropyloxyphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine (PubChem CID 105188592) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[(3-cyclopropyloxyphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-cyclopropyloxyphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
PubChem CID105188592
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-[(3-cyclopropyloxyphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
SMILESCCNC(c1cccc(OC2CC2)c1)c1snnc1C
InChIInChI=1S/C15H19N3OS/c1-3-16-14(15-10(2)17-18-20-15)11-5-4-6-13(9-11)19-12-7-8-12/h4-6,9,12,14,16H,3,7-8H2,1-2H3
InChIKeyZIACPVAFIDTPEG-UHFFFAOYSA-N
XLogP3.09
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-cyclopropyloxyphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 105188445
N-[(4-methylthiadiazol-5-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 105145860
N-[(3-methylphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 105090650
N-[(3-cyclopropyloxyphenyl)-pyridin-4-ylmethyl]ethanamine
CID 114521537
[(3-cyclopropyloxyphenyl)-(4-ethylthiadiazol-5-yl)methyl]hydrazine
CID 105341171
N-[(3-bromophenyl)-(3-cyclopropyloxyphenyl)methyl]ethanamine
CID 114521545
N-[(3-cyclopropyloxyphenyl)-pyridazin-4-ylmethyl]ethanamine
CID 105188541
N-[(5-bromo-4-methylthiophen-2-yl)-(3-cyclopropyloxyphenyl)methyl]ethanamine
CID 105051665
[(3-ethoxyphenyl)-(4-methylthiadiazol-5-yl)methyl]hydrazine
CID 105327992
N-[(3-cyclopropyloxyphenyl)-(2-iodophenyl)methyl]ethanamine
CID 105051816
N-[(3-cyclopropyloxyphenyl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 107969279
1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-ethylethanamine
CID 114521821

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyloxyphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(3-cyclopropyloxyphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine (CID 105188592) is N-[(3-cyclopropyloxyphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-cyclopropyloxyphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-cyclopropyloxyphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine is CCNC(c1cccc(OC2CC2)c1)c1snnc1C.
What is the InChIKey of N-[(3-cyclopropyloxyphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine?
The InChIKey is ZIACPVAFIDTPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-16-14(15-10(2)17-18-20-15)11-5-4-6-13(9-11)19-12-7-8-12/h4-6,9,12,14,16H,3,7-8H2,1-2H3.
What are the key properties of N-[(3-cyclopropyloxyphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine?
N-[(3-cyclopropyloxyphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine has a molecular weight of 289.40 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyloxyphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 105188592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).