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

C15H19N3OS — CID 105188445

IUPACN-[(4-cyclopropyloxyphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
SMILESCCNC(c1ccc(OC2CC2)cc1)c1snnc1C
InChIInChI=1S/C15H19N3OS/c1-3-16-14(15-10(2)17-18-20-15)11-4-6-12(7-5-11)19-13-8-9-13/h4-7,13-14,16H,3,8-9H2,1-2H3
InChIKeyHDWOLXPYFSLQKN-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.09
Rot. Bonds6

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

N-[(4-cyclopropyloxyphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine (PubChem CID 105188445) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[(4-cyclopropyloxyphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-cyclopropyloxyphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
PubChem CID105188445
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-[(4-cyclopropyloxyphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
SMILESCCNC(c1ccc(OC2CC2)cc1)c1snnc1C
InChIInChI=1S/C15H19N3OS/c1-3-16-14(15-10(2)17-18-20-15)11-4-6-12(7-5-11)19-13-8-9-13/h4-7,13-14,16H,3,8-9H2,1-2H3
InChIKeyHDWOLXPYFSLQKN-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

Analyze N-[(4-cyclopropyloxyphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-cyclopropyloxyphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 105188592
N-[(4-methylthiadiazol-5-yl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 105144821
N-[(4-cyclopropyloxyphenyl)-thiophen-2-ylmethyl]ethanamine
CID 114519196
N-[(4-cyclopropyloxyphenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 105051409
N-[(3-fluoro-4-methylphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 107130257
N-[(4-cyclopropyloxyphenyl)-pyrimidin-4-ylmethyl]ethanamine
CID 114519422
N-[(3-methylphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 105090650
N-[(4-cyclopropyloxyphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 105051586
N-[cyclopropyl-(4-cyclopropyloxyphenyl)methyl]ethanamine
CID 114519282
N-[(4-methylthiadiazol-5-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 105145860
N-[(4-ethoxyphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 105140832
(1S)-1-(4-cyclopentyloxyphenyl)-N-ethylethanamine
CID 93007263

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropyloxyphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(4-cyclopropyloxyphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine (CID 105188445) is N-[(4-cyclopropyloxyphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-cyclopropyloxyphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-cyclopropyloxyphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine is CCNC(c1ccc(OC2CC2)cc1)c1snnc1C.
What is the InChIKey of N-[(4-cyclopropyloxyphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine?
The InChIKey is HDWOLXPYFSLQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-16-14(15-10(2)17-18-20-15)11-4-6-12(7-5-11)19-13-8-9-13/h4-7,13-14,16H,3,8-9H2,1-2H3.
What are the key properties of N-[(4-cyclopropyloxyphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine?
N-[(4-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-[(4-cyclopropyloxyphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 105188445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).