N-[(2,5-difluorophenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine

C14H17F2N3S — CID 105143839

IUPACN-[(2,5-difluorophenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
SMILESCCCc1nnsc1C(NCC)c1cc(F)ccc1F
InChIInChI=1S/C14H17F2N3S/c1-3-5-12-14(20-19-18-12)13(17-4-2)10-8-9(15)6-7-11(10)16/h6-8,13,17H,3-5H2,1-2H3
InChIKeyYBCNBXKAJYRXLZ-UHFFFAOYSA-N
MW297.37 g/mol
LogP3.47
Rot. Bonds6

About N-[(2,5-difluorophenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine

N-[(2,5-difluorophenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine (PubChem CID 105143839) has the molecular formula C14H17F2N3S and a molecular weight of 297.37 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
PubChem CID105143839
Molecular FormulaC14H17F2N3S
Molecular Weight297.37 g/mol
Exact Mass297.11
IUPAC NameN-[(2,5-difluorophenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
SMILESCCCc1nnsc1C(NCC)c1cc(F)ccc1F
InChIInChI=1S/C14H17F2N3S/c1-3-5-12-14(20-19-18-12)13(17-4-2)10-8-9(15)6-7-11(10)16/h6-8,13,17H,3-5H2,1-2H3
InChIKeyYBCNBXKAJYRXLZ-UHFFFAOYSA-N
XLogP3.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,5-difluorophenyl)-(4-ethylthiadiazol-5-yl)methyl]ethanamine
CID 105143962
1-(2,5-difluorophenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105143808
N-[(3-fluoro-4-pyridinyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105181884
N-[(2-methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 102842118
N-[(5-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490182
N-[(4-ethylphenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105121449
N-[(3-chlorothiophen-2-yl)-(2,5-difluorophenyl)methyl]ethanamine
CID 80644379
N-[(4-fluoro-3-methylphenyl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine
CID 105143012
N-[(5-bromo-2-fluorophenyl)-(4-tert-butylthiadiazol-5-yl)methyl]ethanamine
CID 105167359
N-[(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490176
N-[(4-tert-butylthiadiazol-5-yl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 105142749
N-[(2,5-difluorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43490212

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(2,5-difluorophenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine (CID 105143839) is N-[(2,5-difluorophenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-difluorophenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-difluorophenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine is CCCc1nnsc1C(NCC)c1cc(F)ccc1F.
What is the InChIKey of N-[(2,5-difluorophenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine?
The InChIKey is YBCNBXKAJYRXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3S/c1-3-5-12-14(20-19-18-12)13(17-4-2)10-8-9(15)6-7-11(10)16/h6-8,13,17H,3-5H2,1-2H3.
What are the key properties of N-[(2,5-difluorophenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine?
N-[(2,5-difluorophenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine has a molecular weight of 297.37 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 105143839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).