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

C10H11FN4S — CID 105181971

IUPACN-[(3-fluoro-4-pyridinyl)-(thiadiazol-4-yl)methyl]ethanamine
SMILESCCNC(c1csnn1)c1ccncc1F
InChIInChI=1S/C10H11FN4S/c1-2-13-10(9-6-16-15-14-9)7-3-4-12-5-8(7)11/h3-6,10,13H,2H2,1H3
InChIKeyMCHXDJGIRPVZAQ-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.77
Rot. Bonds4

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

N-[(3-fluoro-4-pyridinyl)-(thiadiazol-4-yl)methyl]ethanamine (PubChem CID 105181971) has the molecular formula C10H11FN4S and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[(3-fluoro-4-pyridinyl)-(thiadiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-fluoro-4-pyridinyl)-(thiadiazol-4-yl)methyl]ethanamine
PubChem CID105181971
Molecular FormulaC10H11FN4S
Molecular Weight238.29 g/mol
Exact Mass238.07
IUPAC NameN-[(3-fluoro-4-pyridinyl)-(thiadiazol-4-yl)methyl]ethanamine
SMILESCCNC(c1csnn1)c1ccncc1F
InChIInChI=1S/C10H11FN4S/c1-2-13-10(9-6-16-15-14-9)7-3-4-12-5-8(7)11/h3-6,10,13H,2H2,1H3
InChIKeyMCHXDJGIRPVZAQ-UHFFFAOYSA-N
XLogP1.77
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-fluoro-4-pyridinyl)-N-methyl-1-(thiadiazol-4-yl)methanamine
CID 105181850
N-[(3-fluoro-4-pyridinyl)-pyrimidin-4-ylmethyl]ethanamine
CID 104738234
N-[(3-fluoro-4-pyridinyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105181884
N-[(5-bromo-2-fluorophenyl)-(thiadiazol-4-yl)methyl]ethanamine
CID 105167406
N-[(3-fluoro-4-pyridinyl)-quinolin-2-ylmethyl]ethanamine
CID 104738216
N-[(3-fluoro-4-pyridinyl)-(3,4,5-trifluorophenyl)methyl]ethanamine
CID 104738170
N-[(5-fluoro-2-methoxyphenyl)-(thiadiazol-4-yl)methyl]ethanamine
CID 105176560
N-[(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 82822811
N-[(4-bromo-2,6-difluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 105038311
N-[(3-fluoro-4-pyridinyl)-(1H-imidazol-2-yl)methyl]ethanamine
CID 104738570
N-[(4-chloro-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 107995206
N-[(2-chloro-6-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 105038137

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-pyridinyl)-(thiadiazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(3-fluoro-4-pyridinyl)-(thiadiazol-4-yl)methyl]ethanamine (CID 105181971) is N-[(3-fluoro-4-pyridinyl)-(thiadiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-fluoro-4-pyridinyl)-(thiadiazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-fluoro-4-pyridinyl)-(thiadiazol-4-yl)methyl]ethanamine is CCNC(c1csnn1)c1ccncc1F.
What is the InChIKey of N-[(3-fluoro-4-pyridinyl)-(thiadiazol-4-yl)methyl]ethanamine?
The InChIKey is MCHXDJGIRPVZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4S/c1-2-13-10(9-6-16-15-14-9)7-3-4-12-5-8(7)11/h3-6,10,13H,2H2,1H3.
What are the key properties of N-[(3-fluoro-4-pyridinyl)-(thiadiazol-4-yl)methyl]ethanamine?
N-[(3-fluoro-4-pyridinyl)-(thiadiazol-4-yl)methyl]ethanamine has a molecular weight of 238.29 g/mol, XLogP of 1.77, 4 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)-(thiadiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 105181971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).