N-propyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine

C9H15N3S — CID 105108337

IUPACN-propyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine
SMILESC=CCC(NCCC)c1cnsn1
InChIInChI=1S/C9H15N3S/c1-3-5-8(10-6-4-2)9-7-11-13-12-9/h3,7-8,10H,1,4-6H2,2H3
InChIKeyVWDHVTQXHLZZAT-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.15
Rot. Bonds6

About N-propyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine

N-propyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine (PubChem CID 105108337) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is N-propyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine.

Molecular Properties

Compound NameN-propyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine
PubChem CID105108337
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC NameN-propyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine
SMILESC=CCC(NCCC)c1cnsn1
InChIInChI=1S/C9H15N3S/c1-3-5-8(10-6-4-2)9-7-11-13-12-9/h3,7-8,10H,1,4-6H2,2H3
InChIKeyVWDHVTQXHLZZAT-UHFFFAOYSA-N
XLogP2.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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-ethyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine
CID 105108416
4,4-dimethyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine
CID 105140099
N-propyl-1-(1,2,5-thiadiazol-3-yl)pent-4-yn-1-amine
CID 105149148
4-ethylsulfonyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine
CID 105152621
N-[2-(furan-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethyl]propan-1-amine
CID 105177705
1-(1-methylimidazol-4-yl)-N-propylbut-3-en-1-amine
CID 107973946
N-ethyl-1-(1,2,5-thiadiazol-3-yl)propan-1-amine
CID 105078883
N-[2-(5-bromo-2-methoxyphenyl)-1-(1,2,5-thiadiazol-3-yl)ethyl]propan-1-amine
CID 105110384
3-(oxolan-2-yl)-N-propyl-1-(1,2,5-thiadiazol-3-yl)propan-1-amine
CID 105156903
1-(2,6-dimethyl-4-pyridinyl)-N-propylbut-3-en-1-amine
CID 107503998
1-(5-fluoro-3-pyridinyl)-N-propylbut-3-en-1-amine
CID 116661087
N-ethyl-1-(1,2,5-thiadiazol-3-yl)undecan-1-amine
CID 105138214

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine?
The IUPAC name of N-propyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine (CID 105108337) is N-propyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine.
What is the SMILES notation for N-propyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine?
The canonical SMILES for N-propyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine is C=CCC(NCCC)c1cnsn1.
What is the InChIKey of N-propyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine?
The InChIKey is VWDHVTQXHLZZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-3-5-8(10-6-4-2)9-7-11-13-12-9/h3,7-8,10H,1,4-6H2,2H3.
What are the key properties of N-propyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine?
N-propyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine has a molecular weight of 197.31 g/mol, XLogP of 2.15, 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)but-3-en-1-amine is sourced from PubChem (CID 105108337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).