(2,6-difluoro-3-methylphenyl)-(4-propylthiadiazol-5-yl)methanamine

C13H15F2N3S — CID 105175924

IUPAC(2,6-difluoro-3-methylphenyl)-(4-propylthiadiazol-5-yl)methanamine
SMILESCCCc1nnsc1C(N)c1c(F)ccc(C)c1F
InChIInChI=1S/C13H15F2N3S/c1-3-4-9-13(19-18-17-9)12(16)10-8(14)6-5-7(2)11(10)15/h5-6,12H,3-4,16H2,1-2H3
InChIKeyVIQGEEHOUGVBCD-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.13
Rot. Bonds4

About (2,6-difluoro-3-methylphenyl)-(4-propylthiadiazol-5-yl)methanamine

(2,6-difluoro-3-methylphenyl)-(4-propylthiadiazol-5-yl)methanamine (PubChem CID 105175924) has the molecular formula C13H15F2N3S and a molecular weight of 283.35 g/mol. Its IUPAC name is (2,6-difluoro-3-methylphenyl)-(4-propylthiadiazol-5-yl)methanamine.

Molecular Properties

Compound Name(2,6-difluoro-3-methylphenyl)-(4-propylthiadiazol-5-yl)methanamine
PubChem CID105175924
Molecular FormulaC13H15F2N3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name(2,6-difluoro-3-methylphenyl)-(4-propylthiadiazol-5-yl)methanamine
SMILESCCCc1nnsc1C(N)c1c(F)ccc(C)c1F
InChIInChI=1S/C13H15F2N3S/c1-3-4-9-13(19-18-17-9)12(16)10-8(14)6-5-7(2)11(10)15/h5-6,12H,3-4,16H2,1-2H3
InChIKeyVIQGEEHOUGVBCD-UHFFFAOYSA-N
XLogP3.13
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

bis(2,6-difluoro-3-methylphenyl)methanamine
CID 105027229
[(2,6-difluorophenyl)-(4-propylthiadiazol-5-yl)methyl]hydrazine
CID 105308059
(3-fluoro-4-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine
CID 105144608
(4-propylthiadiazol-5-yl)-(2,3,4-trifluorophenyl)methanol
CID 105097071
2-(2,6-difluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105190680
N-[(4-fluoro-3-methylphenyl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine
CID 105143012
(5-fluoro-3-pyridinyl)-(4-propylthiadiazol-5-yl)methanamine
CID 105102650
(2,6-difluorophenyl)-(4-methylthiadiazol-5-yl)methanamine
CID 105149466
1-(2,6-difluoro-3-methylphenyl)ethane-1,2-diamine
CID 55272041
(3,4-difluorophenyl)-(4-propylthiadiazol-5-yl)methanol
CID 105096391
(1R)-1-(2,6-difluoro-3-methylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171209954
(1S)-1-(2,6-difluoro-3-methylphenyl)hexan-1-amine;hydrochloride
CID 171229559

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-methylphenyl)-(4-propylthiadiazol-5-yl)methanamine?
The IUPAC name of (2,6-difluoro-3-methylphenyl)-(4-propylthiadiazol-5-yl)methanamine (CID 105175924) is (2,6-difluoro-3-methylphenyl)-(4-propylthiadiazol-5-yl)methanamine.
What is the SMILES notation for (2,6-difluoro-3-methylphenyl)-(4-propylthiadiazol-5-yl)methanamine?
The canonical SMILES for (2,6-difluoro-3-methylphenyl)-(4-propylthiadiazol-5-yl)methanamine is CCCc1nnsc1C(N)c1c(F)ccc(C)c1F.
What is the InChIKey of (2,6-difluoro-3-methylphenyl)-(4-propylthiadiazol-5-yl)methanamine?
The InChIKey is VIQGEEHOUGVBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3S/c1-3-4-9-13(19-18-17-9)12(16)10-8(14)6-5-7(2)11(10)15/h5-6,12H,3-4,16H2,1-2H3.
What are the key properties of (2,6-difluoro-3-methylphenyl)-(4-propylthiadiazol-5-yl)methanamine?
(2,6-difluoro-3-methylphenyl)-(4-propylthiadiazol-5-yl)methanamine has a molecular weight of 283.35 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-methylphenyl)-(4-propylthiadiazol-5-yl)methanamine is sourced from PubChem (CID 105175924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).