N-[(3-fluoro-4-pyridinyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine

C13H17FN4S — CID 105181884

IUPACN-[(3-fluoro-4-pyridinyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
SMILESCCCc1nnsc1C(NCC)c1ccncc1F
InChIInChI=1S/C13H17FN4S/c1-3-5-11-13(19-18-17-11)12(16-4-2)9-6-7-15-8-10(9)14/h6-8,12,16H,3-5H2,1-2H3
InChIKeyDJWKMEUFDAIIPV-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.72
Rot. Bonds6

About N-[(3-fluoro-4-pyridinyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine

N-[(3-fluoro-4-pyridinyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine (PubChem CID 105181884) has the molecular formula C13H17FN4S and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[(3-fluoro-4-pyridinyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-fluoro-4-pyridinyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
PubChem CID105181884
Molecular FormulaC13H17FN4S
Molecular Weight280.37 g/mol
Exact Mass280.12
IUPAC NameN-[(3-fluoro-4-pyridinyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
SMILESCCCc1nnsc1C(NCC)c1ccncc1F
InChIInChI=1S/C13H17FN4S/c1-3-5-11-13(19-18-17-11)12(16-4-2)9-6-7-15-8-10(9)14/h6-8,12,16H,3-5H2,1-2H3
InChIKeyDJWKMEUFDAIIPV-UHFFFAOYSA-N
XLogP2.72
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,5-difluorophenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105143839
N-[(3-fluoro-4-pyridinyl)-(thiadiazol-4-yl)methyl]ethanamine
CID 105181971
N-[(2-methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 102842118
N-[(3-fluoro-4-pyridinyl)-(3,4,5-trifluorophenyl)methyl]ethanamine
CID 104738170
N-[(3-fluoro-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine
CID 116544959
N-[(3-fluoro-4-pyridinyl)-pyrimidin-4-ylmethyl]ethanamine
CID 104738234
N-[(2,5-difluorophenyl)-(4-ethylthiadiazol-5-yl)methyl]ethanamine
CID 105143962
N-[(4-ethylthiadiazol-5-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105164387
N-[(4-bromo-2,6-difluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 105038311
N-[(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 82822811
N-[(4-ethylphenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105121449
N-[(3-fluoro-4-pyridinyl)-(1H-imidazol-2-yl)methyl]ethanamine
CID 104738570

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-pyridinyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(3-fluoro-4-pyridinyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine (CID 105181884) is N-[(3-fluoro-4-pyridinyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-fluoro-4-pyridinyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-fluoro-4-pyridinyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine is CCCc1nnsc1C(NCC)c1ccncc1F.
What is the InChIKey of N-[(3-fluoro-4-pyridinyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine?
The InChIKey is DJWKMEUFDAIIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4S/c1-3-5-11-13(19-18-17-11)12(16-4-2)9-6-7-15-8-10(9)14/h6-8,12,16H,3-5H2,1-2H3.
What are the key properties of N-[(3-fluoro-4-pyridinyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine?
N-[(3-fluoro-4-pyridinyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine has a molecular weight of 280.37 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-pyridinyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 105181884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).