N-[2-(5-bromo-2-pyridinyl)-1-(4-propylthiadiazol-5-yl)ethyl]propan-1-amine

C15H21BrN4S — CID 105180987

IUPACN-[2-(5-bromo-2-pyridinyl)-1-(4-propylthiadiazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)cn1)c1snnc1CCC
InChIInChI=1S/C15H21BrN4S/c1-3-5-13-15(21-20-19-13)14(17-8-4-2)9-12-7-6-11(16)10-18-12/h6-7,10,14,17H,3-5,8-9H2,1-2H3
InChIKeyLWECJBVVMMQJIT-UHFFFAOYSA-N
MW369.33 g/mol
LogP3.93
Rot. Bonds8

About N-[2-(5-bromo-2-pyridinyl)-1-(4-propylthiadiazol-5-yl)ethyl]propan-1-amine

N-[2-(5-bromo-2-pyridinyl)-1-(4-propylthiadiazol-5-yl)ethyl]propan-1-amine (PubChem CID 105180987) has the molecular formula C15H21BrN4S and a molecular weight of 369.33 g/mol. Its IUPAC name is N-[2-(5-bromo-2-pyridinyl)-1-(4-propylthiadiazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-bromo-2-pyridinyl)-1-(4-propylthiadiazol-5-yl)ethyl]propan-1-amine
PubChem CID105180987
Molecular FormulaC15H21BrN4S
Molecular Weight369.33 g/mol
Exact Mass368.07
IUPAC NameN-[2-(5-bromo-2-pyridinyl)-1-(4-propylthiadiazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)cn1)c1snnc1CCC
InChIInChI=1S/C15H21BrN4S/c1-3-5-13-15(21-20-19-13)14(17-8-4-2)9-12-7-6-11(16)10-18-12/h6-7,10,14,17H,3-5,8-9H2,1-2H3
InChIKeyLWECJBVVMMQJIT-UHFFFAOYSA-N
XLogP3.93
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-(5-ethyl-2-pyridinyl)-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105168867
N-[2-(5-bromo-2-pyridinyl)-1-(3-bromothiophen-2-yl)ethyl]propan-1-amine
CID 105036190
N-[2-(5-bromo-2-pyridinyl)-1-(4-bromothiophen-2-yl)ethyl]propan-1-amine
CID 104802222
N-[2-(5-bromo-2-pyridinyl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107946720
N-[1-(4-propylthiadiazol-5-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105169199
N-[2-(5-bromo-2-pyridinyl)-1-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 105036368
N-[2-(5-bromo-2-pyridinyl)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 104800981
N-[2-(5-bromo-2-pyridinyl)-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 104801976
N-[2-(5-bromo-2-pyridinyl)-1-pyridin-3-ylethyl]propan-1-amine
CID 104801238
N-[2-(5-bromo-2-pyridinyl)-1-(2-methylfuran-3-yl)ethyl]propan-1-amine
CID 104804098
N-[2-(5-bromo-2-pyridinyl)-1-(2-chloro-4-fluorophenyl)ethyl]propan-1-amine
CID 104801920
N-[1-(3-bromo-2-fluorophenyl)-2-(5-bromo-2-pyridinyl)ethyl]propan-1-amine
CID 107953636

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-2-pyridinyl)-1-(4-propylthiadiazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(5-bromo-2-pyridinyl)-1-(4-propylthiadiazol-5-yl)ethyl]propan-1-amine (CID 105180987) is N-[2-(5-bromo-2-pyridinyl)-1-(4-propylthiadiazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-bromo-2-pyridinyl)-1-(4-propylthiadiazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-bromo-2-pyridinyl)-1-(4-propylthiadiazol-5-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Br)cn1)c1snnc1CCC.
What is the InChIKey of N-[2-(5-bromo-2-pyridinyl)-1-(4-propylthiadiazol-5-yl)ethyl]propan-1-amine?
The InChIKey is LWECJBVVMMQJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN4S/c1-3-5-13-15(21-20-19-13)14(17-8-4-2)9-12-7-6-11(16)10-18-12/h6-7,10,14,17H,3-5,8-9H2,1-2H3.
What are the key properties of N-[2-(5-bromo-2-pyridinyl)-1-(4-propylthiadiazol-5-yl)ethyl]propan-1-amine?
N-[2-(5-bromo-2-pyridinyl)-1-(4-propylthiadiazol-5-yl)ethyl]propan-1-amine has a molecular weight of 369.33 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-2-pyridinyl)-1-(4-propylthiadiazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105180987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).