N-[[5-(cyclohexylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine

C12H21N3OS — CID 80619947

IUPACN-[[5-(cyclohexylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nnc(OCC2CCCCC2)s1
InChIInChI=1S/C12H21N3OS/c1-2-13-8-11-14-15-12(17-11)16-9-10-6-4-3-5-7-10/h10,13H,2-9H2,1H3
InChIKeyUMOJVKFVBYTXGT-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.61
Rot. Bonds6

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

N-[[5-(cyclohexylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine (PubChem CID 80619947) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-[[5-(cyclohexylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(cyclohexylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
PubChem CID80619947
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-[[5-(cyclohexylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nnc(OCC2CCCCC2)s1
InChIInChI=1S/C12H21N3OS/c1-2-13-8-11-14-15-12(17-11)16-9-10-6-4-3-5-7-10/h10,13H,2-9H2,1H3
InChIKeyUMOJVKFVBYTXGT-UHFFFAOYSA-N
XLogP2.61
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(cyclohexylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(cyclohexylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine (CID 80619947) is N-[[5-(cyclohexylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(cyclohexylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(cyclohexylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine is CCNCc1nnc(OCC2CCCCC2)s1.
What is the InChIKey of N-[[5-(cyclohexylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
The InChIKey is UMOJVKFVBYTXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-2-13-8-11-14-15-12(17-11)16-9-10-6-4-3-5-7-10/h10,13H,2-9H2,1H3.
What are the key properties of N-[[5-(cyclohexylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
N-[[5-(cyclohexylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine has a molecular weight of 255.39 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(cyclohexylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 80619947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).