5-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]ethyl]-1,3,4-thiadiazol-2-amine

C14H20N4OS — CID 95125784

IUPAC5-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]ethyl]-1,3,4-thiadiazol-2-amine
SMILESCOc1cccc(C[C@H](C)NCCc2nnc(N)s2)c1
InChIInChI=1S/C14H20N4OS/c1-10(8-11-4-3-5-12(9-11)19-2)16-7-6-13-17-18-14(15)20-13/h3-5,9-10,16H,6-8H2,1-2H3,(H2,15,18)/t10-/m0/s1
InChIKeyBNWLEHKLVMWCJU-JTQLQIEISA-N
MW292.41 g/mol
LogP1.89
Rot. Bonds7

About 5-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]ethyl]-1,3,4-thiadiazol-2-amine

5-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 95125784) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 5-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID95125784
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name5-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]ethyl]-1,3,4-thiadiazol-2-amine
SMILESCOc1cccc(C[C@H](C)NCCc2nnc(N)s2)c1
InChIInChI=1S/C14H20N4OS/c1-10(8-11-4-3-5-12(9-11)19-2)16-7-6-13-17-18-14(15)20-13/h3-5,9-10,16H,6-8H2,1-2H3,(H2,15,18)/t10-/m0/s1
InChIKeyBNWLEHKLVMWCJU-JTQLQIEISA-N
XLogP1.89
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3-methoxyphenyl)methoxymethyl]-1,3,4-thiadiazol-2-amine
CID 80608923
1-(4-methoxyphenyl)-N-[3-(3-methoxyphenyl)propyl]propan-2-amine
CID 110185121
[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]methanamine
CID 95459878
2-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]ethanamine
CID 95469549
5-[(3-methoxy-N-methylanilino)methyl]-1,3,4-thiadiazol-2-amine
CID 80606084
4-(3-methoxyphenyl)-3-methylbutan-2-amine
CID 60995099
N-(2,2-diethoxyethyl)-1-(3-methoxyphenyl)propan-2-amine
CID 12516811
N-[2-(3-methoxyphenyl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 103777714
1-(4-methoxyphenyl)-N-(2-phenylethyl)propan-2-amine
CID 43508719
N-[2-(3-methoxyphenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
CID 103777751
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
N-[2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutan-2-amine
CID 126843908

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]ethyl]-1,3,4-thiadiazol-2-amine (CID 95125784) is 5-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]ethyl]-1,3,4-thiadiazol-2-amine is COc1cccc(C[C@H](C)NCCc2nnc(N)s2)c1.
What is the InChIKey of 5-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is BNWLEHKLVMWCJU-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20N4OS/c1-10(8-11-4-3-5-12(9-11)19-2)16-7-6-13-17-18-14(15)20-13/h3-5,9-10,16H,6-8H2,1-2H3,(H2,15,18)/t10-/m0/s1.
What are the key properties of 5-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]ethyl]-1,3,4-thiadiazol-2-amine?
5-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 292.41 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 95125784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).