N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine

C18H19FN4S — CID 133411419

IUPACN-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
SMILESCN(C)Cc1ccc(CNc2nc(-c3ccccc3)ns2)cc1F
InChIInChI=1S/C18H19FN4S/c1-23(2)12-15-9-8-13(10-16(15)19)11-20-18-21-17(22-24-18)14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,20,21,22)
InChIKeyHZUILRJFHCLBEM-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.02
Rot. Bonds6

About N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine

N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine (PubChem CID 133411419) has the molecular formula C18H19FN4S and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
PubChem CID133411419
Molecular FormulaC18H19FN4S
Molecular Weight342.44 g/mol
Exact Mass342.13
IUPAC NameN-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
SMILESCN(C)Cc1ccc(CNc2nc(-c3ccccc3)ns2)cc1F
InChIInChI=1S/C18H19FN4S/c1-23(2)12-15-9-8-13(10-16(15)19)11-20-18-21-17(22-24-18)14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,20,21,22)
InChIKeyHZUILRJFHCLBEM-UHFFFAOYSA-N
XLogP4.02
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 86875112
N-[(3-methylphenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133316558
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-4,6-dimethylpyrimidin-2-amine
CID 133411326
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-2-methylquinolin-4-amine
CID 133411285
N-[(3-ethoxyphenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133317329
3-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzonitrile
CID 133407141
1-[4-[(dimethylamino)methyl]-3-fluorophenyl]-N-methoxymethanamine
CID 117303185
N-[(4-nitrophenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133319644
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 133411435
methyl N-[4-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]carbamate
CID 133317518
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133406112
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 86875113

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine (CID 133411419) is N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine is CN(C)Cc1ccc(CNc2nc(-c3ccccc3)ns2)cc1F.
What is the InChIKey of N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine?
The InChIKey is HZUILRJFHCLBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4S/c1-23(2)12-15-9-8-13(10-16(15)19)11-20-18-21-17(22-24-18)14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,20,21,22).
What are the key properties of N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine?
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine has a molecular weight of 342.44 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133411419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).