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

C10H19N3OS — CID 80623305

IUPACN-[(5-pentoxy-1,3,4-thiadiazol-2-yl)methyl]ethanamine
SMILESCCCCCOc1nnc(CNCC)s1
InChIInChI=1S/C10H19N3OS/c1-3-5-6-7-14-10-13-12-9(15-10)8-11-4-2/h11H,3-8H2,1-2H3
InChIKeyIMQUDUHLHNMQFJ-UHFFFAOYSA-N
MW229.35 g/mol
LogP2.22
Rot. Bonds8

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

N-[(5-pentoxy-1,3,4-thiadiazol-2-yl)methyl]ethanamine (PubChem CID 80623305) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is N-[(5-pentoxy-1,3,4-thiadiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-pentoxy-1,3,4-thiadiazol-2-yl)methyl]ethanamine
PubChem CID80623305
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC NameN-[(5-pentoxy-1,3,4-thiadiazol-2-yl)methyl]ethanamine
SMILESCCCCCOc1nnc(CNCC)s1
InChIInChI=1S/C10H19N3OS/c1-3-5-6-7-14-10-13-12-9(15-10)8-11-4-2/h11H,3-8H2,1-2H3
InChIKeyIMQUDUHLHNMQFJ-UHFFFAOYSA-N
XLogP2.22
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 52.22
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

N-[(5-hexoxy-1,3,4-thiadiazol-2-yl)methyl]ethanamine
CID 80624766
N-[(5-hexoxy-1,3,4-thiadiazol-2-yl)methyl]propan-1-amine
CID 80624767
N-[[5-(3-methoxypropoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 80624548
1-(5-heptoxy-1,3,4-thiadiazol-2-yl)-N-methylmethanamine
CID 80623732
N-[(5-heptoxy-1,3,4-thiadiazol-2-yl)methyl]propan-2-amine
CID 80623503
N-[(5-pentoxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine
CID 80623515
N-[[5-(2-cyclopropylethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 106205491
N-[[5-(2,2,2-trifluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 80623914
1-[5-(2-butoxyethoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
CID 80624285
N-[[5-[(6-methylcyclohex-3-en-1-yl)methoxy]-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 80623739
N-[[5-(2,2,3,3-tetrafluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 80624476
N-[[5-[(E)-3-phenylprop-2-enoxy]-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 80624574

Frequently Asked Questions

What is the IUPAC name of N-[(5-pentoxy-1,3,4-thiadiazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-pentoxy-1,3,4-thiadiazol-2-yl)methyl]ethanamine (CID 80623305) is N-[(5-pentoxy-1,3,4-thiadiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-pentoxy-1,3,4-thiadiazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-pentoxy-1,3,4-thiadiazol-2-yl)methyl]ethanamine is CCCCCOc1nnc(CNCC)s1.
What is the InChIKey of N-[(5-pentoxy-1,3,4-thiadiazol-2-yl)methyl]ethanamine?
The InChIKey is IMQUDUHLHNMQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-3-5-6-7-14-10-13-12-9(15-10)8-11-4-2/h11H,3-8H2,1-2H3.
What are the key properties of N-[(5-pentoxy-1,3,4-thiadiazol-2-yl)methyl]ethanamine?
N-[(5-pentoxy-1,3,4-thiadiazol-2-yl)methyl]ethanamine has a molecular weight of 229.35 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-pentoxy-1,3,4-thiadiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 80623305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).