N-(3-ethoxypropyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine

C11H21N3OS2 — CID 62578490

IUPACN-(3-ethoxypropyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine
SMILESCCOCCCNCC(C)Sc1nnc(C)s1
InChIInChI=1S/C11H21N3OS2/c1-4-15-7-5-6-12-8-9(2)16-11-14-13-10(3)17-11/h9,12H,4-8H2,1-3H3
InChIKeyDNNQDQGIZHUVJM-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.34
Rot. Bonds9

About N-(3-ethoxypropyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine

N-(3-ethoxypropyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine (PubChem CID 62578490) has the molecular formula C11H21N3OS2 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine
PubChem CID62578490
Molecular FormulaC11H21N3OS2
Molecular Weight275.44 g/mol
Exact Mass275.11
IUPAC NameN-(3-ethoxypropyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine
SMILESCCOCCCNCC(C)Sc1nnc(C)s1
InChIInChI=1S/C11H21N3OS2/c1-4-15-7-5-6-12-8-9(2)16-11-14-13-10(3)17-11/h9,12H,4-8H2,1-3H3
InChIKeyDNNQDQGIZHUVJM-UHFFFAOYSA-N
XLogP2.34
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pentan-1-amine
CID 62578684
2-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]propan-1-amine
CID 62576391
N-(3-ethoxypropyl)-2-(5-methylpyrimidin-2-yl)sulfanylpropan-1-amine
CID 62581950
N-(3-ethoxypropyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-amine
CID 106925841
N-(3-ethoxypropyl)-2-(4-methylpyrimidin-2-yl)sulfanylpropan-1-amine
CID 55092498
N-(3-ethoxypropyl)-2-(1-methylpyrazol-4-yl)sulfanylpropan-1-amine
CID 55091951
N-(3-ethoxypropyl)-2-(4-methylsulfonylphenyl)sulfanylpropan-1-amine
CID 63238897
2-(3-ethoxypropylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 3229609
N-(3-ethoxypropyl)-2,3-dimethylbutan-1-amine
CID 65175065
1-N-(3-ethoxypropyl)propane-1,2-diamine
CID 62568793
N-(3-ethoxypropyl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 65175780
N-(3-ethoxypropyl)-2-[(2-methylphenyl)methylsulfanyl]propan-1-amine
CID 62770036

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine?
The IUPAC name of N-(3-ethoxypropyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine (CID 62578490) is N-(3-ethoxypropyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine?
The canonical SMILES for N-(3-ethoxypropyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine is CCOCCCNCC(C)Sc1nnc(C)s1.
What is the InChIKey of N-(3-ethoxypropyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine?
The InChIKey is DNNQDQGIZHUVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS2/c1-4-15-7-5-6-12-8-9(2)16-11-14-13-10(3)17-11/h9,12H,4-8H2,1-3H3.
What are the key properties of N-(3-ethoxypropyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine?
N-(3-ethoxypropyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 2.34, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine is sourced from PubChem (CID 62578490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).