N-methyl-3-methylidene-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine

C9H15N3S — CID 105163885

IUPACN-methyl-3-methylidene-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine
SMILESC=C(CC)CC(NC)c1cnsn1
InChIInChI=1S/C9H15N3S/c1-4-7(2)5-8(10-3)9-6-11-13-12-9/h6,8,10H,2,4-5H2,1,3H3
InChIKeyGBNJQOQXIHOKOT-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.15
Rot. Bonds5

About N-methyl-3-methylidene-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine

N-methyl-3-methylidene-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine (PubChem CID 105163885) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is N-methyl-3-methylidene-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine.

Molecular Properties

Compound NameN-methyl-3-methylidene-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine
PubChem CID105163885
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC NameN-methyl-3-methylidene-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine
SMILESC=C(CC)CC(NC)c1cnsn1
InChIInChI=1S/C9H15N3S/c1-4-7(2)5-8(10-3)9-6-11-13-12-9/h6,8,10H,2,4-5H2,1,3H3
InChIKeyGBNJQOQXIHOKOT-UHFFFAOYSA-N
XLogP2.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,3-dimethyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine
CID 105082987
N-methyl-3-methylidene-1-(4-methyl-2-pyridinyl)pentan-1-amine
CID 66038280
5,5,5-trifluoro-N-methyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine
CID 105174275
N-ethyl-4-methyl-1-(1,2,5-thiadiazol-3-yl)pent-4-en-1-amine
CID 105182650
N-ethyl-1-(1,2,5-thiadiazol-3-yl)propan-1-amine
CID 105078883
3-methyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-ol
CID 105110023
3-ethyl-N-methyl-1-(1,2,5-thiadiazol-3-yl)heptan-1-amine
CID 105102816
N-methyl-3-methylidene-1-quinolin-2-ylpentan-1-amine
CID 66036857
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105158966
2-(4-iodophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105151861
N-ethyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine
CID 105108416
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105171443

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylidene-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine?
The IUPAC name of N-methyl-3-methylidene-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine (CID 105163885) is N-methyl-3-methylidene-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine.
What is the SMILES notation for N-methyl-3-methylidene-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine?
The canonical SMILES for N-methyl-3-methylidene-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine is C=C(CC)CC(NC)c1cnsn1.
What is the InChIKey of N-methyl-3-methylidene-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine?
The InChIKey is GBNJQOQXIHOKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-4-7(2)5-8(10-3)9-6-11-13-12-9/h6,8,10H,2,4-5H2,1,3H3.
What are the key properties of N-methyl-3-methylidene-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine?
N-methyl-3-methylidene-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine has a molecular weight of 197.31 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylidene-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine is sourced from PubChem (CID 105163885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).