N-[(4-propoxyphenyl)-(thiadiazol-5-yl)methyl]ethanamine

C14H19N3OS — CID 105144208

IUPACN-[(4-propoxyphenyl)-(thiadiazol-5-yl)methyl]ethanamine
SMILESCCCOc1ccc(C(NCC)c2cnns2)cc1
InChIInChI=1S/C14H19N3OS/c1-3-9-18-12-7-5-11(6-8-12)14(15-4-2)13-10-16-17-19-13/h5-8,10,14-15H,3-4,9H2,1-2H3
InChIKeyHTCDXSCULXTVRI-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.03
Rot. Bonds7

About N-[(4-propoxyphenyl)-(thiadiazol-5-yl)methyl]ethanamine

N-[(4-propoxyphenyl)-(thiadiazol-5-yl)methyl]ethanamine (PubChem CID 105144208) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[(4-propoxyphenyl)-(thiadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-propoxyphenyl)-(thiadiazol-5-yl)methyl]ethanamine
PubChem CID105144208
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-[(4-propoxyphenyl)-(thiadiazol-5-yl)methyl]ethanamine
SMILESCCCOc1ccc(C(NCC)c2cnns2)cc1
InChIInChI=1S/C14H19N3OS/c1-3-9-18-12-7-5-11(6-8-12)14(15-4-2)13-10-16-17-19-13/h5-8,10,14-15H,3-4,9H2,1-2H3
InChIKeyHTCDXSCULXTVRI-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

N-[(4-propan-2-ylphenyl)-(thiadiazol-5-yl)methyl]ethanamine
CID 105144822
N-[(3,4-dimethoxyphenyl)-(thiadiazol-5-yl)methyl]ethanamine
CID 105141221
N-methyl-1-(5-propoxy-3-pyridinyl)-1-(thiadiazol-5-yl)methanamine
CID 105175758
N-[(5-fluoro-2-pyridinyl)-(4-propoxyphenyl)methyl]ethanamine
CID 79706480
N-[(5-methyl-3-pyridinyl)-(4-propoxyphenyl)methyl]ethanamine
CID 105144285
N-[(3-chlorothiophen-2-yl)-(4-propoxyphenyl)methyl]ethanamine
CID 115853483
N-[2,3-dihydro-1,4-benzodioxin-6-yl(thiadiazol-5-yl)methyl]ethanamine
CID 105141112
N-[furan-2-yl-(4-propoxyphenyl)methyl]ethanamine
CID 62796998
N-[quinolin-6-yl(thiadiazol-5-yl)methyl]propan-1-amine
CID 105172388
N-ethyl-1-(4-propoxyphenyl)pentan-1-amine
CID 79405246
N-[quinolin-5-yl(thiadiazol-5-yl)methyl]ethanamine
CID 105171948
N-[(4-propoxyphenyl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 62795433

Frequently Asked Questions

What is the IUPAC name of N-[(4-propoxyphenyl)-(thiadiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(4-propoxyphenyl)-(thiadiazol-5-yl)methyl]ethanamine (CID 105144208) is N-[(4-propoxyphenyl)-(thiadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-propoxyphenyl)-(thiadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-propoxyphenyl)-(thiadiazol-5-yl)methyl]ethanamine is CCCOc1ccc(C(NCC)c2cnns2)cc1.
What is the InChIKey of N-[(4-propoxyphenyl)-(thiadiazol-5-yl)methyl]ethanamine?
The InChIKey is HTCDXSCULXTVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-3-9-18-12-7-5-11(6-8-12)14(15-4-2)13-10-16-17-19-13/h5-8,10,14-15H,3-4,9H2,1-2H3.
What are the key properties of N-[(4-propoxyphenyl)-(thiadiazol-5-yl)methyl]ethanamine?
N-[(4-propoxyphenyl)-(thiadiazol-5-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-[(4-propoxyphenyl)-(thiadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 105144208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).