N-[(4-bromo-1-methylpyrazol-5-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine

C12H18BrN5S — CID 105189704

IUPACN-[(4-bromo-1-methylpyrazol-5-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
SMILESCCCc1nnsc1C(NCC)c1c(Br)cnn1C
InChIInChI=1S/C12H18BrN5S/c1-4-6-9-12(19-17-16-9)10(14-5-2)11-8(13)7-15-18(11)3/h7,10,14H,4-6H2,1-3H3
InChIKeyNXSOAWLEQJKWNH-UHFFFAOYSA-N
MW344.28 g/mol
LogP2.69
Rot. Bonds6

About N-[(4-bromo-1-methylpyrazol-5-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine

N-[(4-bromo-1-methylpyrazol-5-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine (PubChem CID 105189704) has the molecular formula C12H18BrN5S and a molecular weight of 344.28 g/mol. Its IUPAC name is N-[(4-bromo-1-methylpyrazol-5-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-1-methylpyrazol-5-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
PubChem CID105189704
Molecular FormulaC12H18BrN5S
Molecular Weight344.28 g/mol
Exact Mass343.05
IUPAC NameN-[(4-bromo-1-methylpyrazol-5-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
SMILESCCCc1nnsc1C(NCC)c1c(Br)cnn1C
InChIInChI=1S/C12H18BrN5S/c1-4-6-9-12(19-17-16-9)10(14-5-2)11-8(13)7-15-18(11)3/h7,10,14H,4-6H2,1-3H3
InChIKeyNXSOAWLEQJKWNH-UHFFFAOYSA-N
XLogP2.69
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.28
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105183842
N-[(5-bromo-3-methyltriazol-4-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 106465384
N-[(4-bromo-1-propylpyrazol-5-yl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 105183497
N-[(5-bromo-3-methyltriazol-4-yl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine
CID 106464936
N-[(4-bromo-1-methylpyrazol-5-yl)-thiophen-3-ylmethyl]ethanamine
CID 114647272
1-(4-bromo-1-methylpyrazol-5-yl)-N-ethylpentan-1-amine
CID 114657465
N-[(4-bromo-1-methylpyrazol-5-yl)-(3-bromothiophen-2-yl)methyl]propan-1-amine
CID 105054059
N-[(4-bromo-3-methylphenyl)-(4-bromo-1-methylpyrazol-5-yl)methyl]ethanamine
CID 105054020
N-[(4-bromo-1-methylpyrazol-5-yl)-(2,4,6-trifluorophenyl)methyl]ethanamine
CID 105054034
N-[(5-bromo-2-methylphenyl)-(4-bromo-1-methylpyrazol-5-yl)methyl]ethanamine
CID 105054003
N-[(4-bromo-1-methylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methyl]ethanamine
CID 114651558
N-[(4-ethylthiadiazol-5-yl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 105104012

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine (CID 105189704) is N-[(4-bromo-1-methylpyrazol-5-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-1-methylpyrazol-5-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-1-methylpyrazol-5-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine is CCCc1nnsc1C(NCC)c1c(Br)cnn1C.
What is the InChIKey of N-[(4-bromo-1-methylpyrazol-5-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine?
The InChIKey is NXSOAWLEQJKWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN5S/c1-4-6-9-12(19-17-16-9)10(14-5-2)11-8(13)7-15-18(11)3/h7,10,14H,4-6H2,1-3H3.
What are the key properties of N-[(4-bromo-1-methylpyrazol-5-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine?
N-[(4-bromo-1-methylpyrazol-5-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine has a molecular weight of 344.28 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-methylpyrazol-5-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 105189704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).