N-ethyl-1-[5-(4-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine

C11H15N3OS2 — CID 81129156

IUPACN-ethyl-1-[5-(4-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCCNC(C)c1nnc(-c2cc(OC)cs2)s1
InChIInChI=1S/C11H15N3OS2/c1-4-12-7(2)10-13-14-11(17-10)9-5-8(15-3)6-16-9/h5-7,12H,4H2,1-3H3
InChIKeyRDLCVZWMUXSJGE-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.95
Rot. Bonds5

About N-ethyl-1-[5-(4-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine

N-ethyl-1-[5-(4-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine (PubChem CID 81129156) has the molecular formula C11H15N3OS2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-ethyl-1-[5-(4-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-(4-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine
PubChem CID81129156
Molecular FormulaC11H15N3OS2
Molecular Weight269.39 g/mol
Exact Mass269.07
IUPAC NameN-ethyl-1-[5-(4-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCCNC(C)c1nnc(-c2cc(OC)cs2)s1
InChIInChI=1S/C11H15N3OS2/c1-4-12-7(2)10-13-14-11(17-10)9-5-8(15-3)6-16-9/h5-7,12H,4H2,1-3H3
InChIKeyRDLCVZWMUXSJGE-UHFFFAOYSA-N
XLogP2.95
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 81128126
N-ethyl-2-[5-(4-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 81128127
3-[5-(4-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 81128249
N-[[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 81128251
N-[[5-(4-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 81128252
N-[2-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 81128254
2-Iodo-5-(4-methoxythiophen-2-yl)-1,3,4-thiadiazole
CID 81128290
[5-(4-Methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]-phenylmethanamine
CID 81128363
2-[5-(3-Methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 81128364
N-[3-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]propyl]cyclopropanamine
CID 81128365
N-[[5-(4-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 81128370
N-[2-[5-(4-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 81128373

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(4-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
The IUPAC name of N-ethyl-1-[5-(4-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine (CID 81129156) is N-ethyl-1-[5-(4-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-(4-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-(4-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine is CCNC(C)c1nnc(-c2cc(OC)cs2)s1.
What is the InChIKey of N-ethyl-1-[5-(4-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
The InChIKey is RDLCVZWMUXSJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS2/c1-4-12-7(2)10-13-14-11(17-10)9-5-8(15-3)6-16-9/h5-7,12H,4H2,1-3H3.
What are the key properties of N-ethyl-1-[5-(4-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
N-ethyl-1-[5-(4-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine has a molecular weight of 269.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-(4-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine is sourced from PubChem (CID 81129156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).