N-[(2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine

C14H19N3OS — CID 105180804

IUPACN-[(2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
SMILESCCCOc1ccccc1C(NCC)c1cnsn1
InChIInChI=1S/C14H19N3OS/c1-3-9-18-13-8-6-5-7-11(13)14(15-4-2)12-10-16-19-17-12/h5-8,10,14-15H,3-4,9H2,1-2H3
InChIKeyBOFUMTLLUIAFTA-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.03
Rot. Bonds7

About N-[(2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine

N-[(2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine (PubChem CID 105180804) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[(2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
PubChem CID105180804
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-[(2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
SMILESCCCOc1ccccc1C(NCC)c1cnsn1
InChIInChI=1S/C14H19N3OS/c1-3-9-18-13-8-6-5-7-11(13)14(15-4-2)12-10-16-19-17-12/h5-8,10,14-15H,3-4,9H2,1-2H3
InChIKeyBOFUMTLLUIAFTA-UHFFFAOYSA-N
XLogP3.03
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanol
CID 105125917
N-[phenyl-(2-propoxyphenyl)methyl]ethanamine
CID 104659888
N-[(2-methoxy-5-methylphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
CID 105144099
N-[(3,4-diethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
CID 105143439
N-[(3-bromothiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine
CID 105035892
N-[(4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine
CID 105035800
N-[(3-methylphenyl)-(2-propoxyphenyl)methyl]ethanamine
CID 104659903
N-[(3-bromo-2,4-dimethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
CID 103524511
N-[(4-methoxythiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine
CID 105035974
N-[(2-ethoxyphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 65200592
N-methyl-1-(2-propoxyphenyl)-1-pyridin-2-ylmethanamine
CID 104659848
1-(6-methoxypyridazin-3-yl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 103374186

Frequently Asked Questions

What is the IUPAC name of N-[(2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine (CID 105180804) is N-[(2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine is CCCOc1ccccc1C(NCC)c1cnsn1.
What is the InChIKey of N-[(2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine?
The InChIKey is BOFUMTLLUIAFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-3-9-18-13-8-6-5-7-11(13)14(15-4-2)12-10-16-19-17-12/h5-8,10,14-15H,3-4,9H2,1-2H3.
What are the key properties of N-[(2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine?
N-[(2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine has a molecular weight of 277.39 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 105180804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).