N-methyl-1-(4-methylthiadiazol-5-yl)pent-4-en-1-amine

C9H15N3S — CID 105153409

IUPACN-methyl-1-(4-methylthiadiazol-5-yl)pent-4-en-1-amine
SMILESC=CCCC(NC)c1snnc1C
InChIInChI=1S/C9H15N3S/c1-4-5-6-8(10-3)9-7(2)11-12-13-9/h4,8,10H,1,5-6H2,2-3H3
InChIKeyPXBVJIJDZTUEFV-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.07
Rot. Bonds5

About N-methyl-1-(4-methylthiadiazol-5-yl)pent-4-en-1-amine

N-methyl-1-(4-methylthiadiazol-5-yl)pent-4-en-1-amine (PubChem CID 105153409) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is N-methyl-1-(4-methylthiadiazol-5-yl)pent-4-en-1-amine.

Molecular Properties

Compound NameN-methyl-1-(4-methylthiadiazol-5-yl)pent-4-en-1-amine
PubChem CID105153409
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC NameN-methyl-1-(4-methylthiadiazol-5-yl)pent-4-en-1-amine
SMILESC=CCCC(NC)c1snnc1C
InChIInChI=1S/C9H15N3S/c1-4-5-6-8(10-3)9-7(2)11-12-13-9/h4,8,10H,1,5-6H2,2-3H3
InChIKeyPXBVJIJDZTUEFV-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
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-ethyl-1-(4-methylthiadiazol-5-yl)pent-4-en-1-amine
CID 105153417
N-methyl-1-(4-methylthiadiazol-5-yl)hexan-1-amine
CID 105129659
4,4,4-trifluoro-N-methyl-1-(4-methylthiadiazol-5-yl)butan-1-amine
CID 105156351
N-methyl-1-(4-methylthiadiazol-5-yl)-3-phenylpropan-1-amine
CID 105094073
N-methyl-1-(4-methylthiadiazol-5-yl)-3-thiophen-2-ylpropan-1-amine
CID 105150256
1-(3-bromothiophen-2-yl)-N-methylpent-4-en-1-amine
CID 104987232
2-(4-bromophenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105089102
N-ethyl-1-(4-methylthiadiazol-5-yl)prop-2-en-1-amine
CID 105161188
N-methyl-1-(4-methylthiadiazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105159022
N-methyl-1-(4-methylthiadiazol-5-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105177948
1-(4-tert-butylthiadiazol-5-yl)pent-4-en-1-amine
CID 105153331
[2-cyclopropyl-1-(4-methylthiadiazol-5-yl)ethyl]hydrazine
CID 105310989

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylthiadiazol-5-yl)pent-4-en-1-amine?
The IUPAC name of N-methyl-1-(4-methylthiadiazol-5-yl)pent-4-en-1-amine (CID 105153409) is N-methyl-1-(4-methylthiadiazol-5-yl)pent-4-en-1-amine.
What is the SMILES notation for N-methyl-1-(4-methylthiadiazol-5-yl)pent-4-en-1-amine?
The canonical SMILES for N-methyl-1-(4-methylthiadiazol-5-yl)pent-4-en-1-amine is C=CCCC(NC)c1snnc1C.
What is the InChIKey of N-methyl-1-(4-methylthiadiazol-5-yl)pent-4-en-1-amine?
The InChIKey is PXBVJIJDZTUEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-4-5-6-8(10-3)9-7(2)11-12-13-9/h4,8,10H,1,5-6H2,2-3H3.
What are the key properties of N-methyl-1-(4-methylthiadiazol-5-yl)pent-4-en-1-amine?
N-methyl-1-(4-methylthiadiazol-5-yl)pent-4-en-1-amine has a molecular weight of 197.31 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylthiadiazol-5-yl)pent-4-en-1-amine is sourced from PubChem (CID 105153409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).