N-[(2-ethoxyphenyl)-(4-ethylthiadiazol-5-yl)methyl]propan-1-amine

C16H23N3OS — CID 105145067

IUPACN-[(2-ethoxyphenyl)-(4-ethylthiadiazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1OCC)c1snnc1CC
InChIInChI=1S/C16H23N3OS/c1-4-11-17-15(16-13(5-2)18-19-21-16)12-9-7-8-10-14(12)20-6-3/h7-10,15,17H,4-6,11H2,1-3H3
InChIKeyHDVQKULUVKRKNI-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.59
Rot. Bonds8

About N-[(2-ethoxyphenyl)-(4-ethylthiadiazol-5-yl)methyl]propan-1-amine

N-[(2-ethoxyphenyl)-(4-ethylthiadiazol-5-yl)methyl]propan-1-amine (PubChem CID 105145067) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)-(4-ethylthiadiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)-(4-ethylthiadiazol-5-yl)methyl]propan-1-amine
PubChem CID105145067
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-[(2-ethoxyphenyl)-(4-ethylthiadiazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1OCC)c1snnc1CC
InChIInChI=1S/C16H23N3OS/c1-4-11-17-15(16-13(5-2)18-19-21-16)12-9-7-8-10-14(12)20-6-3/h7-10,15,17H,4-6,11H2,1-3H3
InChIKeyHDVQKULUVKRKNI-UHFFFAOYSA-N
XLogP3.59
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethylthiadiazol-5-yl)-(2-methylphenyl)methyl]propan-1-amine
CID 105094965
N-[(4-ethylthiadiazol-5-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105164387
N-[(2-ethoxyphenyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine
CID 115853680
N-[(2-ethoxyphenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 62802224
N-[(4-ethylthiadiazol-5-yl)-(4-methylphenyl)methyl]propan-1-amine
CID 105092612
N-[(2-chlorophenyl)-(2-ethoxyphenyl)methyl]propan-1-amine
CID 63415844
N-[(2-ethoxyphenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 61332177
N-[(4,5-dibromothiophen-2-yl)-(2-ethoxyphenyl)methyl]propan-1-amine
CID 80532533
N-[(2,4-dimethoxyphenyl)-(4-ethylthiadiazol-5-yl)methyl]ethanamine
CID 105145170
2-(2-ethoxyphenyl)-N-propylhexan-3-amine
CID 83050810
N-[(3-bromo-2,6-difluorophenyl)-(4-ethylthiadiazol-5-yl)methyl]propan-1-amine
CID 106944961
N-[(2-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61330443

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)-(4-ethylthiadiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-ethoxyphenyl)-(4-ethylthiadiazol-5-yl)methyl]propan-1-amine (CID 105145067) is N-[(2-ethoxyphenyl)-(4-ethylthiadiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-ethoxyphenyl)-(4-ethylthiadiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-ethoxyphenyl)-(4-ethylthiadiazol-5-yl)methyl]propan-1-amine is CCCNC(c1ccccc1OCC)c1snnc1CC.
What is the InChIKey of N-[(2-ethoxyphenyl)-(4-ethylthiadiazol-5-yl)methyl]propan-1-amine?
The InChIKey is HDVQKULUVKRKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-4-11-17-15(16-13(5-2)18-19-21-16)12-9-7-8-10-14(12)20-6-3/h7-10,15,17H,4-6,11H2,1-3H3.
What are the key properties of N-[(2-ethoxyphenyl)-(4-ethylthiadiazol-5-yl)methyl]propan-1-amine?
N-[(2-ethoxyphenyl)-(4-ethylthiadiazol-5-yl)methyl]propan-1-amine has a molecular weight of 305.45 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)-(4-ethylthiadiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 105145067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).