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

C17H18FN5S — CID 133456119

IUPACN-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1ncccc1CNc1nnc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C17H18FN5S/c1-23(2)16-13(4-3-9-19-16)11-20-17-22-21-15(24-17)10-12-5-7-14(18)8-6-12/h3-9H,10-11H2,1-2H3,(H,20,22)
InChIKeyGZQGSJPKNHRHAB-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.34
Rot. Bonds6

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

N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 133456119) has the molecular formula C17H18FN5S and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID133456119
Molecular FormulaC17H18FN5S
Molecular Weight343.43 g/mol
Exact Mass343.13
IUPAC NameN-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1ncccc1CNc1nnc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C17H18FN5S/c1-23(2)16-13(4-3-9-19-16)11-20-17-22-21-15(24-17)10-12-5-7-14(18)8-6-12/h3-9H,10-11H2,1-2H3,(H,20,22)
InChIKeyGZQGSJPKNHRHAB-UHFFFAOYSA-N
XLogP3.34
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 133456031
1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]propan-2-ol
CID 133465775
5-[(4-fluorophenyl)methyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
CID 133456278
5-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)-1,3,4-thiadiazol-2-amine
CID 133465791
3-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-[(4-fluorophenyl)methyl]-1,2-dimethylguanidine
CID 119132066
3-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-2,2-dimethylpropanamide
CID 133456342
2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-N-propan-2-ylacetamide
CID 133466123
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 133466332
N-[1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-2-methylpropan-2-yl]methanesulfonamide
CID 133457944
5-[(4-fluorophenyl)methyl]-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 133466060
3-[(2,2-dimethylpropylamino)methyl]-N,N-dimethylpyridin-2-amine
CID 115607162
1-[4-[2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethyl]piperazin-1-yl]ethanone
CID 133456144

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine (CID 133456119) is N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine is CN(C)c1ncccc1CNc1nnc(Cc2ccc(F)cc2)s1.
What is the InChIKey of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is GZQGSJPKNHRHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5S/c1-23(2)16-13(4-3-9-19-16)11-20-17-22-21-15(24-17)10-12-5-7-14(18)8-6-12/h3-9H,10-11H2,1-2H3,(H,20,22).
What are the key properties of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine?
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 343.43 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133456119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).