N-propyl-1-(1,2,5-thiadiazol-3-yl)pent-4-yn-1-amine

C10H15N3S — CID 105149148

IUPACN-propyl-1-(1,2,5-thiadiazol-3-yl)pent-4-yn-1-amine
SMILESC#CCCC(NCCC)c1cnsn1
InChIInChI=1S/C10H15N3S/c1-3-5-6-9(11-7-4-2)10-8-12-14-13-10/h1,8-9,11H,4-7H2,2H3
InChIKeyVTLKCDDGQOGJLZ-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.99
Rot. Bonds6

About N-propyl-1-(1,2,5-thiadiazol-3-yl)pent-4-yn-1-amine

N-propyl-1-(1,2,5-thiadiazol-3-yl)pent-4-yn-1-amine (PubChem CID 105149148) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is N-propyl-1-(1,2,5-thiadiazol-3-yl)pent-4-yn-1-amine.

Molecular Properties

Compound NameN-propyl-1-(1,2,5-thiadiazol-3-yl)pent-4-yn-1-amine
PubChem CID105149148
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC NameN-propyl-1-(1,2,5-thiadiazol-3-yl)pent-4-yn-1-amine
SMILESC#CCCC(NCCC)c1cnsn1
InChIInChI=1S/C10H15N3S/c1-3-5-6-9(11-7-4-2)10-8-12-14-13-10/h1,8-9,11H,4-7H2,2H3
InChIKeyVTLKCDDGQOGJLZ-UHFFFAOYSA-N
XLogP1.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,4-dimethyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine
CID 105140099
4-ethylsulfonyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine
CID 105152621
N-propyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine
CID 105108337
N-[2-(furan-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethyl]propan-1-amine
CID 105177705
3-(oxolan-2-yl)-N-propyl-1-(1,2,5-thiadiazol-3-yl)propan-1-amine
CID 105156903
N-propyl-1-thiophen-2-ylpent-4-yn-1-amine
CID 63657512
N-ethyl-1-(1,2,5-thiadiazol-3-yl)undecan-1-amine
CID 105138214
N-ethyl-1-(1,2,5-thiadiazol-3-yl)propan-1-amine
CID 105078883
1-(2-chlorophenyl)-N-propylpent-4-yn-1-amine
CID 63655900
N-[2-(5-bromo-2-methoxyphenyl)-1-(1,2,5-thiadiazol-3-yl)ethyl]propan-1-amine
CID 105110384
1-(5-iodothiophen-3-yl)-N-propylpent-4-yn-1-amine
CID 115859344
N-[furan-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105146718

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(1,2,5-thiadiazol-3-yl)pent-4-yn-1-amine?
The IUPAC name of N-propyl-1-(1,2,5-thiadiazol-3-yl)pent-4-yn-1-amine (CID 105149148) is N-propyl-1-(1,2,5-thiadiazol-3-yl)pent-4-yn-1-amine.
What is the SMILES notation for N-propyl-1-(1,2,5-thiadiazol-3-yl)pent-4-yn-1-amine?
The canonical SMILES for N-propyl-1-(1,2,5-thiadiazol-3-yl)pent-4-yn-1-amine is C#CCCC(NCCC)c1cnsn1.
What is the InChIKey of N-propyl-1-(1,2,5-thiadiazol-3-yl)pent-4-yn-1-amine?
The InChIKey is VTLKCDDGQOGJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-3-5-6-9(11-7-4-2)10-8-12-14-13-10/h1,8-9,11H,4-7H2,2H3.
What are the key properties of N-propyl-1-(1,2,5-thiadiazol-3-yl)pent-4-yn-1-amine?
N-propyl-1-(1,2,5-thiadiazol-3-yl)pent-4-yn-1-amine has a molecular weight of 209.32 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(1,2,5-thiadiazol-3-yl)pent-4-yn-1-amine is sourced from PubChem (CID 105149148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).