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

C12H21N3OS — CID 114241799

IUPACN-ethyl-2-[5-(3-methyloxan-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCCNCCc1nnc(C2CCOCC2C)s1
InChIInChI=1S/C12H21N3OS/c1-3-13-6-4-11-14-15-12(17-11)10-5-7-16-8-9(10)2/h9-10,13H,3-8H2,1-2H3
InChIKeyYKUNYPHXESLMOM-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.83
Rot. Bonds5

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

N-ethyl-2-[5-(3-methyloxan-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine (PubChem CID 114241799) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-ethyl-2-[5-(3-methyloxan-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[5-(3-methyloxan-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine
PubChem CID114241799
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-ethyl-2-[5-(3-methyloxan-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCCNCCc1nnc(C2CCOCC2C)s1
InChIInChI=1S/C12H21N3OS/c1-3-13-6-4-11-14-15-12(17-11)10-5-7-16-8-9(10)2/h9-10,13H,3-8H2,1-2H3
InChIKeyYKUNYPHXESLMOM-UHFFFAOYSA-N
XLogP1.83
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine
CID 107185607
3-[5-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine
CID 107185500
N-ethyl-2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]ethanamine
CID 116968368
N-[2-[5-(3-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 114241677
3-[5-(cycloheptylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine
CID 114459300
6-chloro-3-ethoxy-4-[(3S)-3-methyloxan-4-yl]pyridazine
CID 118887110
3-[5-(dicyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine
CID 112745188
2-methyl-N-[3-[5-(5-methyloxolan-2-yl)-1,3,4-thiadiazol-2-yl]propyl]propan-2-amine
CID 81326879
N-[2-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 107127894
N-ethyl-2-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 114823828
N-[[4-tert-butyl-2-(oxolan-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114362536
N-[[5-(3-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 114241670

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[5-(3-methyloxan-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
The IUPAC name of N-ethyl-2-[5-(3-methyloxan-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine (CID 114241799) is N-ethyl-2-[5-(3-methyloxan-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[5-(3-methyloxan-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[5-(3-methyloxan-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine is CCNCCc1nnc(C2CCOCC2C)s1.
What is the InChIKey of N-ethyl-2-[5-(3-methyloxan-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
The InChIKey is YKUNYPHXESLMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-3-13-6-4-11-14-15-12(17-11)10-5-7-16-8-9(10)2/h9-10,13H,3-8H2,1-2H3.
What are the key properties of N-ethyl-2-[5-(3-methyloxan-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
N-ethyl-2-[5-(3-methyloxan-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine has a molecular weight of 255.39 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[5-(3-methyloxan-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine is sourced from PubChem (CID 114241799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).