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

C17H19FN6S — CID 133452824

IUPACN-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-5-[(2-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1ncc(CN(C)c2nnc(Cc3ccccc3F)s2)cn1
InChIInChI=1S/C17H19FN6S/c1-23(2)16-19-9-12(10-20-16)11-24(3)17-22-21-15(25-17)8-13-6-4-5-7-14(13)18/h4-7,9-10H,8,11H2,1-3H3
InChIKeyWOEAUIWOSALNSY-UHFFFAOYSA-N
MW358.45 g/mol
LogP2.76
Rot. Bonds6

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

N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-5-[(2-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 133452824) has the molecular formula C17H19FN6S and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-5-[(2-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-5-[(2-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID133452824
Molecular FormulaC17H19FN6S
Molecular Weight358.45 g/mol
Exact Mass358.14
IUPAC NameN-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-5-[(2-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1ncc(CN(C)c2nnc(Cc3ccccc3F)s2)cn1
InChIInChI=1S/C17H19FN6S/c1-23(2)16-19-9-12(10-20-16)11-24(3)17-22-21-15(25-17)8-13-6-4-5-7-14(13)18/h4-7,9-10H,8,11H2,1-3H3
InChIKeyWOEAUIWOSALNSY-UHFFFAOYSA-N
XLogP2.76
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(2-fluorophenyl)methyl]-N-methyl-N-(oxan-4-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 133452062
5-benzyl-N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 133451334
5-(bromomethyl)-N-[(2-fluorophenyl)methyl]-N-methylpyrimidin-2-amine
CID 107080917
N-[(2-fluorophenyl)methyl]-N,5-dimethylpyrimidin-2-amine
CID 171701097
N-[(2-fluorophenyl)methyl]-N,4-dimethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 55117804
5-[(4-fluorophenyl)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 133466137
5-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 62767057
2-[(2-fluorophenyl)methyl-methylamino]pyrimidine-5-carbaldehyde
CID 113387633
N-benzyl-N,5-dimethyl-1,3,4-thiadiazol-2-amine
CID 58663770
N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 23819133
N,N-dimethyl-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]pyrimidin-2-amine
CID 75500442
3-amino-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylbutanamide
CID 120500550

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-5-[(2-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-5-[(2-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine (CID 133452824) is N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-5-[(2-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-5-[(2-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-5-[(2-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine is CN(C)c1ncc(CN(C)c2nnc(Cc3ccccc3F)s2)cn1.
What is the InChIKey of N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-5-[(2-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is WOEAUIWOSALNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6S/c1-23(2)16-19-9-12(10-20-16)11-24(3)17-22-21-15(25-17)8-13-6-4-5-7-14(13)18/h4-7,9-10H,8,11H2,1-3H3.
What are the key properties of N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-5-[(2-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-5-[(2-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 358.45 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-5-[(2-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133452824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).