(2-fluoro-4,6-dimethylphenyl)-(thiadiazol-5-yl)methanamine

C11H12FN3S — CID 106883927

IUPAC(2-fluoro-4,6-dimethylphenyl)-(thiadiazol-5-yl)methanamine
SMILESCc1cc(C)c(C(N)c2cnns2)c(F)c1
InChIInChI=1S/C11H12FN3S/c1-6-3-7(2)10(8(12)4-6)11(13)9-5-14-15-16-9/h3-5,11H,13H2,1-2H3
InChIKeyGYQDBDSIRAHDSG-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.34
Rot. Bonds2

About (2-fluoro-4,6-dimethylphenyl)-(thiadiazol-5-yl)methanamine

(2-fluoro-4,6-dimethylphenyl)-(thiadiazol-5-yl)methanamine (PubChem CID 106883927) has the molecular formula C11H12FN3S and a molecular weight of 237.30 g/mol. Its IUPAC name is (2-fluoro-4,6-dimethylphenyl)-(thiadiazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-fluoro-4,6-dimethylphenyl)-(thiadiazol-5-yl)methanamine
PubChem CID106883927
Molecular FormulaC11H12FN3S
Molecular Weight237.30 g/mol
Exact Mass237.07
IUPAC Name(2-fluoro-4,6-dimethylphenyl)-(thiadiazol-5-yl)methanamine
SMILESCc1cc(C)c(C(N)c2cnns2)c(F)c1
InChIInChI=1S/C11H12FN3S/c1-6-3-7(2)10(8(12)4-6)11(13)9-5-14-15-16-9/h3-5,11H,13H2,1-2H3
InChIKeyGYQDBDSIRAHDSG-UHFFFAOYSA-N
XLogP2.34
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluoro-4,6-dimethylphenyl)-(thiadiazol-5-yl)methyl]ethanamine
CID 106883667
(2-fluoro-4,6-dimethylphenyl)-pyrimidin-5-ylmethanamine
CID 106883516
(3-methylphenyl)-(thiadiazol-5-yl)methanamine
CID 105090729
2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106883395
thiadiazol-5-yl-(2,3,4-trifluorophenyl)methanamine
CID 105146509
1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 106682307
(3,5-dibromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881964
(2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 106881261
1-(thiadiazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanol
CID 105084249
[(2,6-difluoro-3-methylphenyl)-(thiadiazol-5-yl)methyl]hydrazine
CID 105330178
(2-fluoro-4,6-dimethylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 106883591
(2,5-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881519

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4,6-dimethylphenyl)-(thiadiazol-5-yl)methanamine?
The IUPAC name of (2-fluoro-4,6-dimethylphenyl)-(thiadiazol-5-yl)methanamine (CID 106883927) is (2-fluoro-4,6-dimethylphenyl)-(thiadiazol-5-yl)methanamine.
What is the SMILES notation for (2-fluoro-4,6-dimethylphenyl)-(thiadiazol-5-yl)methanamine?
The canonical SMILES for (2-fluoro-4,6-dimethylphenyl)-(thiadiazol-5-yl)methanamine is Cc1cc(C)c(C(N)c2cnns2)c(F)c1.
What is the InChIKey of (2-fluoro-4,6-dimethylphenyl)-(thiadiazol-5-yl)methanamine?
The InChIKey is GYQDBDSIRAHDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3S/c1-6-3-7(2)10(8(12)4-6)11(13)9-5-14-15-16-9/h3-5,11H,13H2,1-2H3.
What are the key properties of (2-fluoro-4,6-dimethylphenyl)-(thiadiazol-5-yl)methanamine?
(2-fluoro-4,6-dimethylphenyl)-(thiadiazol-5-yl)methanamine has a molecular weight of 237.30 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4,6-dimethylphenyl)-(thiadiazol-5-yl)methanamine is sourced from PubChem (CID 106883927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).