N-[(4-bromo-1-propylpyrazol-5-yl)-(thiadiazol-5-yl)methyl]propan-1-amine

C12H18BrN5S — CID 105183524

IUPACN-[(4-bromo-1-propylpyrazol-5-yl)-(thiadiazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnns1)c1c(Br)cnn1CCC
InChIInChI=1S/C12H18BrN5S/c1-3-5-14-11(10-8-15-17-19-10)12-9(13)7-16-18(12)6-4-2/h7-8,11,14H,3-6H2,1-2H3
InChIKeyAUCQXHPIJLHKJU-UHFFFAOYSA-N
MW344.28 g/mol
LogP3.00
Rot. Bonds7

About N-[(4-bromo-1-propylpyrazol-5-yl)-(thiadiazol-5-yl)methyl]propan-1-amine

N-[(4-bromo-1-propylpyrazol-5-yl)-(thiadiazol-5-yl)methyl]propan-1-amine (PubChem CID 105183524) has the molecular formula C12H18BrN5S and a molecular weight of 344.28 g/mol. Its IUPAC name is N-[(4-bromo-1-propylpyrazol-5-yl)-(thiadiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-1-propylpyrazol-5-yl)-(thiadiazol-5-yl)methyl]propan-1-amine
PubChem CID105183524
Molecular FormulaC12H18BrN5S
Molecular Weight344.28 g/mol
Exact Mass343.05
IUPAC NameN-[(4-bromo-1-propylpyrazol-5-yl)-(thiadiazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnns1)c1c(Br)cnn1CCC
InChIInChI=1S/C12H18BrN5S/c1-3-5-14-11(10-8-15-17-19-10)12-9(13)7-16-18(12)6-4-2/h7-8,11,14H,3-6H2,1-2H3
InChIKeyAUCQXHPIJLHKJU-UHFFFAOYSA-N
XLogP3.00
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.28
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-bromo-1-propylpyrazol-5-yl)ethyl]propan-1-amine
CID 114647831
N-[(4-bromo-1-propylpyrazol-5-yl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 114654562
N-[(5-bromofuran-2-yl)-(4-bromo-1-propylpyrazol-5-yl)methyl]propan-1-amine
CID 105041198
2-[4-bromo-5-[hydrazinyl(thiadiazol-5-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105336482
N-[(4-bromo-1-propylpyrazol-5-yl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
CID 105183476
N-[(4-bromo-1-propylpyrazol-5-yl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine
CID 105041390
N-[(4-bromo-1-propylpyrazol-5-yl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 105183497
1-(4-bromo-1-propylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 105041187
N-[(4-bromo-1-ethylpyrazol-5-yl)-(4,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 105039919
N-[(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine
CID 103444915
1-(4-bromo-1-propylpyrazol-5-yl)-4-methyl-N-propylpentan-1-amine
CID 114648750
N-[1-(4-bromo-1-propylpyrazol-5-yl)-2-ethylsulfanylethyl]propan-1-amine
CID 114653524

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-propylpyrazol-5-yl)-(thiadiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-bromo-1-propylpyrazol-5-yl)-(thiadiazol-5-yl)methyl]propan-1-amine (CID 105183524) is N-[(4-bromo-1-propylpyrazol-5-yl)-(thiadiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-bromo-1-propylpyrazol-5-yl)-(thiadiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-bromo-1-propylpyrazol-5-yl)-(thiadiazol-5-yl)methyl]propan-1-amine is CCCNC(c1cnns1)c1c(Br)cnn1CCC.
What is the InChIKey of N-[(4-bromo-1-propylpyrazol-5-yl)-(thiadiazol-5-yl)methyl]propan-1-amine?
The InChIKey is AUCQXHPIJLHKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN5S/c1-3-5-14-11(10-8-15-17-19-10)12-9(13)7-16-18(12)6-4-2/h7-8,11,14H,3-6H2,1-2H3.
What are the key properties of N-[(4-bromo-1-propylpyrazol-5-yl)-(thiadiazol-5-yl)methyl]propan-1-amine?
N-[(4-bromo-1-propylpyrazol-5-yl)-(thiadiazol-5-yl)methyl]propan-1-amine has a molecular weight of 344.28 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-propylpyrazol-5-yl)-(thiadiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 105183524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).