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

C11H21N3S2 — CID 62578684

IUPACN-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pentan-1-amine
SMILESCCCCCNCC(C)Sc1nnc(C)s1
InChIInChI=1S/C11H21N3S2/c1-4-5-6-7-12-8-9(2)15-11-14-13-10(3)16-11/h9,12H,4-8H2,1-3H3
InChIKeyGHRUBSFDUXHGJD-UHFFFAOYSA-N
MW259.44 g/mol
LogP3.11
Rot. Bonds8

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

N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pentan-1-amine (PubChem CID 62578684) has the molecular formula C11H21N3S2 and a molecular weight of 259.44 g/mol. Its IUPAC name is N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pentan-1-amine.

Molecular Properties

Compound NameN-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pentan-1-amine
PubChem CID62578684
Molecular FormulaC11H21N3S2
Molecular Weight259.44 g/mol
Exact Mass259.12
IUPAC NameN-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pentan-1-amine
SMILESCCCCCNCC(C)Sc1nnc(C)s1
InChIInChI=1S/C11H21N3S2/c1-4-5-6-7-12-8-9(2)15-11-14-13-10(3)16-11/h9,12H,4-8H2,1-3H3
InChIKeyGHRUBSFDUXHGJD-UHFFFAOYSA-N
XLogP3.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 53.11
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-(3-ethoxypropyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine
CID 62578490
2-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]propan-1-amine
CID 62576391
N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]hexan-1-amine
CID 62577413
N-[2-(1,3-thiazol-2-ylsulfanyl)propyl]pentan-1-amine
CID 62581020
N-[2-(1,3-benzothiazol-2-ylsulfanyl)propyl]pentan-1-amine
CID 62578544
N-ethyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine
CID 115383697
N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine
CID 62577599
N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propyl]pentan-1-amine
CID 102925906
N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propyl]pentan-1-amine
CID 106925868
ethyl 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate
CID 3170095
N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propyl]butan-1-amine
CID 102925919
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenyl-N-propylpropan-1-amine
CID 64650635

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pentan-1-amine?
The IUPAC name of N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pentan-1-amine (CID 62578684) is N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pentan-1-amine.
What is the SMILES notation for N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pentan-1-amine?
The canonical SMILES for N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pentan-1-amine is CCCCCNCC(C)Sc1nnc(C)s1.
What is the InChIKey of N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pentan-1-amine?
The InChIKey is GHRUBSFDUXHGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S2/c1-4-5-6-7-12-8-9(2)15-11-14-13-10(3)16-11/h9,12H,4-8H2,1-3H3.
What are the key properties of N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pentan-1-amine?
N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pentan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pentan-1-amine is sourced from PubChem (CID 62578684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).