N-methyl-1-[5-(4-methylpentoxy)-1,3,4-thiadiazol-2-yl]methanamine

C10H19N3OS — CID 80624765

IUPACN-methyl-1-[5-(4-methylpentoxy)-1,3,4-thiadiazol-2-yl]methanamine
SMILESCNCc1nnc(OCCCC(C)C)s1
InChIInChI=1S/C10H19N3OS/c1-8(2)5-4-6-14-10-13-12-9(15-10)7-11-3/h8,11H,4-7H2,1-3H3
InChIKeyUAIDHFZMOXMFIT-UHFFFAOYSA-N
MW229.35 g/mol
LogP2.07
Rot. Bonds7

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

N-methyl-1-[5-(4-methylpentoxy)-1,3,4-thiadiazol-2-yl]methanamine (PubChem CID 80624765) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is N-methyl-1-[5-(4-methylpentoxy)-1,3,4-thiadiazol-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(4-methylpentoxy)-1,3,4-thiadiazol-2-yl]methanamine
PubChem CID80624765
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC NameN-methyl-1-[5-(4-methylpentoxy)-1,3,4-thiadiazol-2-yl]methanamine
SMILESCNCc1nnc(OCCCC(C)C)s1
InChIInChI=1S/C10H19N3OS/c1-8(2)5-4-6-14-10-13-12-9(15-10)7-11-3/h8,11H,4-7H2,1-3H3
InChIKeyUAIDHFZMOXMFIT-UHFFFAOYSA-N
XLogP2.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 52.07
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-(4-methylpentoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 80623297
1-(5-heptoxy-1,3,4-thiadiazol-2-yl)-N-methylmethanamine
CID 80623732
1-[5-(2-butoxyethoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
CID 80624285
N-[(5-heptoxy-1,3,4-thiadiazol-2-yl)methyl]propan-2-amine
CID 80623503
N-methyl-1-[5-(2,2,2-trifluoroethoxy)-1,3,4-thiadiazol-2-yl]methanamine
CID 80624002
N-[[5-(2-methoxyethoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 80623292
N-[(5-pentoxy-1,3,4-thiadiazol-2-yl)methyl]ethanamine
CID 80623305
N-[(5-hexoxy-1,3,4-thiadiazol-2-yl)methyl]ethanamine
CID 80624766
N-[[5-(3-methoxypropoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 80624548
N-[(5-hexoxy-1,3,4-thiadiazol-2-yl)methyl]propan-1-amine
CID 80624767
N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-1-amine
CID 80623383
1-(5-cycloheptyloxy-1,3,4-thiadiazol-2-yl)-N-methylmethanamine
CID 80620931

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(4-methylpentoxy)-1,3,4-thiadiazol-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(4-methylpentoxy)-1,3,4-thiadiazol-2-yl]methanamine (CID 80624765) is N-methyl-1-[5-(4-methylpentoxy)-1,3,4-thiadiazol-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(4-methylpentoxy)-1,3,4-thiadiazol-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(4-methylpentoxy)-1,3,4-thiadiazol-2-yl]methanamine is CNCc1nnc(OCCCC(C)C)s1.
What is the InChIKey of N-methyl-1-[5-(4-methylpentoxy)-1,3,4-thiadiazol-2-yl]methanamine?
The InChIKey is UAIDHFZMOXMFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-8(2)5-4-6-14-10-13-12-9(15-10)7-11-3/h8,11H,4-7H2,1-3H3.
What are the key properties of N-methyl-1-[5-(4-methylpentoxy)-1,3,4-thiadiazol-2-yl]methanamine?
N-methyl-1-[5-(4-methylpentoxy)-1,3,4-thiadiazol-2-yl]methanamine has a molecular weight of 229.35 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(4-methylpentoxy)-1,3,4-thiadiazol-2-yl]methanamine is sourced from PubChem (CID 80624765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).