1-[4-(2,6-difluorophenyl)thiadiazol-5-yl]-N-methylmethanamine

C10H9F2N3S — CID 65209114

IUPAC1-[4-(2,6-difluorophenyl)thiadiazol-5-yl]-N-methylmethanamine
SMILESCNCc1snnc1-c1c(F)cccc1F
InChIInChI=1S/C10H9F2N3S/c1-13-5-8-10(14-15-16-8)9-6(11)3-2-4-7(9)12/h2-4,13H,5H2,1H3
InChIKeyOOIVZTYUZGWVLL-UHFFFAOYSA-N
MW241.27 g/mol
LogP2.20
Rot. Bonds3

About 1-[4-(2,6-difluorophenyl)thiadiazol-5-yl]-N-methylmethanamine

1-[4-(2,6-difluorophenyl)thiadiazol-5-yl]-N-methylmethanamine (PubChem CID 65209114) has the molecular formula C10H9F2N3S and a molecular weight of 241.27 g/mol. Its IUPAC name is 1-[4-(2,6-difluorophenyl)thiadiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2,6-difluorophenyl)thiadiazol-5-yl]-N-methylmethanamine
PubChem CID65209114
Molecular FormulaC10H9F2N3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name1-[4-(2,6-difluorophenyl)thiadiazol-5-yl]-N-methylmethanamine
SMILESCNCc1snnc1-c1c(F)cccc1F
InChIInChI=1S/C10H9F2N3S/c1-13-5-8-10(14-15-16-8)9-6(11)3-2-4-7(9)12/h2-4,13H,5H2,1H3
InChIKeyOOIVZTYUZGWVLL-UHFFFAOYSA-N
XLogP2.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methyl-4-phenyl-1,2,3-thiadiazole
CID 338037
Fluorophenyl thiadiazole
CID 54465613
2-(3-chloro-4-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine
CID 103043422
4,6-bis(4-fluorophenyl)-7,7-dimethyl-5,6-dihydro-4H-thiadiazolo[5,4-c]pyridine
CID 24816390
5-{[2-(4-Fluorophenyl)-1-pyrrolidinyl]methyl}-4-isopropyl-1,2,3-thiadiazole
CID 56882428
4-Phenyl-5-(trifluoromethyl)-1,2,3-thiadiazole
CID 40424249
N-[(4-fluorophenyl)methyl]-4-methylthiadiazole-5-carbothioamide
CID 57031214
N-[(2-fluorophenyl)methyl]-4-methylthiadiazole-5-carbothioamide
CID 57131893
4-(4-Fluorophenyl)-5-methyl-1,2,3-thiadiazole
CID 69206034
N-(4,4-difluorobut-3-enyl)-5-phenylthiadiazole-4-carbothioamide
CID 139818235
5-(Fluoromethyl)-4-phenylthiadiazole
CID 141237812
4-fluoro-N-methyl-2-(thiadiazol-4-yl)aniline
CID 174509471

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-difluorophenyl)thiadiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2,6-difluorophenyl)thiadiazol-5-yl]-N-methylmethanamine (CID 65209114) is 1-[4-(2,6-difluorophenyl)thiadiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2,6-difluorophenyl)thiadiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2,6-difluorophenyl)thiadiazol-5-yl]-N-methylmethanamine is CNCc1snnc1-c1c(F)cccc1F.
What is the InChIKey of 1-[4-(2,6-difluorophenyl)thiadiazol-5-yl]-N-methylmethanamine?
The InChIKey is OOIVZTYUZGWVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3S/c1-13-5-8-10(14-15-16-8)9-6(11)3-2-4-7(9)12/h2-4,13H,5H2,1H3.
What are the key properties of 1-[4-(2,6-difluorophenyl)thiadiazol-5-yl]-N-methylmethanamine?
1-[4-(2,6-difluorophenyl)thiadiazol-5-yl]-N-methylmethanamine has a molecular weight of 241.27 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-difluorophenyl)thiadiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 65209114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).