N-[1-(4-propylthiadiazol-5-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine

C13H20N4S2 — CID 105169199

IUPACN-[1-(4-propylthiadiazol-5-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccs1)c1snnc1CCC
InChIInChI=1S/C13H20N4S2/c1-3-5-10-13(19-17-16-10)11(14-6-4-2)9-12-15-7-8-18-12/h7-8,11,14H,3-6,9H2,1-2H3
InChIKeyKVAOMVCGHWEDOD-UHFFFAOYSA-N
MW296.46 g/mol
LogP3.23
Rot. Bonds8

About N-[1-(4-propylthiadiazol-5-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine

N-[1-(4-propylthiadiazol-5-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine (PubChem CID 105169199) has the molecular formula C13H20N4S2 and a molecular weight of 296.46 g/mol. Its IUPAC name is N-[1-(4-propylthiadiazol-5-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-propylthiadiazol-5-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
PubChem CID105169199
Molecular FormulaC13H20N4S2
Molecular Weight296.46 g/mol
Exact Mass296.11
IUPAC NameN-[1-(4-propylthiadiazol-5-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccs1)c1snnc1CCC
InChIInChI=1S/C13H20N4S2/c1-3-5-10-13(19-17-16-10)11(14-6-4-2)9-12-15-7-8-18-12/h7-8,11,14H,3-6,9H2,1-2H3
InChIKeyKVAOMVCGHWEDOD-UHFFFAOYSA-N
XLogP3.23
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-propan-2-ylthiadiazol-5-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105169200
[1-(4-ethylthiadiazol-5-yl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105324673
N-[2-(5-bromo-2-pyridinyl)-1-(4-propylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105180987
N-[1-pyridin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79824684
N-[1-(3,6-dimethylpyridazin-4-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105169282
N-[1-(2-methyl-1,3-thiazol-5-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 114031683
N-propyl-1-(4-propylthiadiazol-5-yl)-3-thiophen-3-ylpropan-1-amine
CID 105147880
N-[1-(2,4-dichlorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105015002
N-[1-(6-methoxypyridazin-3-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 103374746
N,N-dimethyl-4-[1-(propylamino)-2-(1,3-thiazol-2-yl)ethyl]aniline
CID 105169159
N-[1-(2-chloro-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79823595
N-[1-(2,6-dimethoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105015257

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-propylthiadiazol-5-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-propylthiadiazol-5-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine (CID 105169199) is N-[1-(4-propylthiadiazol-5-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-propylthiadiazol-5-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-propylthiadiazol-5-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine is CCCNC(Cc1nccs1)c1snnc1CCC.
What is the InChIKey of N-[1-(4-propylthiadiazol-5-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The InChIKey is KVAOMVCGHWEDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S2/c1-3-5-10-13(19-17-16-10)11(14-6-4-2)9-12-15-7-8-18-12/h7-8,11,14H,3-6,9H2,1-2H3.
What are the key properties of N-[1-(4-propylthiadiazol-5-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
N-[1-(4-propylthiadiazol-5-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine has a molecular weight of 296.46 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-propylthiadiazol-5-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105169199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).