[4-ethoxy-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine

C12H22N4OS — CID 114284122

IUPAC[4-ethoxy-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine
SMILESCCOC1(CN)CCN(c2nc(CC)ns2)CC1
InChIInChI=1S/C12H22N4OS/c1-3-10-14-11(18-15-10)16-7-5-12(9-13,6-8-16)17-4-2/h3-9,13H2,1-2H3
InChIKeyVBMRDQPAFSSRCL-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.43
Rot. Bonds5

About [4-ethoxy-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine

[4-ethoxy-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine (PubChem CID 114284122) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is [4-ethoxy-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[4-ethoxy-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine
PubChem CID114284122
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name[4-ethoxy-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine
SMILESCCOC1(CN)CCN(c2nc(CC)ns2)CC1
InChIInChI=1S/C12H22N4OS/c1-3-10-14-11(18-15-10)16-7-5-12(9-13,6-8-16)17-4-2/h3-9,13H2,1-2H3
InChIKeyVBMRDQPAFSSRCL-UHFFFAOYSA-N
XLogP1.43
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane
CID 71847476
9-(3-Ethyl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane
CID 71916040
3-methyl-N-(4-morpholin-4-ylbutyl)-1,2,4-thiadiazol-5-amine
CID 132380131
4-(Fluoromethyl)-1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidine
CID 166603165
[4-(3-Propyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanamine
CID 65270347
[4-(3-Ethyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanamine
CID 65270348
[4-(3-Tert-butyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanamine
CID 65270398
[4-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanamine
CID 65270401
N-(3-morpholin-4-ylpropyl)-3-propyl-1,2,4-thiadiazol-5-amine
CID 65271038
3-methyl-N-(2-piperidin-4-yloxyethyl)-1,2,4-thiadiazol-5-amine
CID 65272722
2-methoxy-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]ethanamine
CID 65272735
3-methyl-N-(3-piperidin-4-yloxypropyl)-1,2,4-thiadiazol-5-amine
CID 65272782

Frequently Asked Questions

What is the IUPAC name of [4-ethoxy-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine?
The IUPAC name of [4-ethoxy-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine (CID 114284122) is [4-ethoxy-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine.
What is the SMILES notation for [4-ethoxy-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine?
The canonical SMILES for [4-ethoxy-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine is CCOC1(CN)CCN(c2nc(CC)ns2)CC1.
What is the InChIKey of [4-ethoxy-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine?
The InChIKey is VBMRDQPAFSSRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-3-10-14-11(18-15-10)16-7-5-12(9-13,6-8-16)17-4-2/h3-9,13H2,1-2H3.
What are the key properties of [4-ethoxy-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine?
[4-ethoxy-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine has a molecular weight of 270.40 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethoxy-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine is sourced from PubChem (CID 114284122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).