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

C17H18FN5S — CID 133456031

IUPACN-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1cc(CNc2nnc(Cc3ccc(F)cc3)s2)ccn1
InChIInChI=1S/C17H18FN5S/c1-23(2)15-9-13(7-8-19-15)11-20-17-22-21-16(24-17)10-12-3-5-14(18)6-4-12/h3-9H,10-11H2,1-2H3,(H,20,22)
InChIKeyUCVDRZXGVXUHAM-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.34
Rot. Bonds6

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

N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 133456031) has the molecular formula C17H18FN5S and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID133456031
Molecular FormulaC17H18FN5S
Molecular Weight343.43 g/mol
Exact Mass343.13
IUPAC NameN-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1cc(CNc2nnc(Cc3ccc(F)cc3)s2)ccn1
InChIInChI=1S/C17H18FN5S/c1-23(2)15-9-13(7-8-19-15)11-20-17-22-21-16(24-17)10-12-3-5-14(18)6-4-12/h3-9H,10-11H2,1-2H3,(H,20,22)
InChIKeyUCVDRZXGVXUHAM-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)-3-pyridinyl]methyl]-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 133456119
5-[(4-fluorophenyl)methyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
CID 133456278
1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]propan-2-ol
CID 133465775
5-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)-1,3,4-thiadiazol-2-amine
CID 133465791
3-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-2,2-dimethylpropanamide
CID 133456342
5-[(4-fluorophenyl)methyl]-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1,3,4-thiadiazol-2-amine
CID 133456212
N-[(4-fluorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64913971
2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-N-propan-2-ylacetamide
CID 133466123
3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-[2-(4-fluorophenyl)ethyl]-1-methylurea
CID 86837574
3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-[(4-fluorophenyl)methyl]-1,2-dimethylguanidine;hydroiodide
CID 111307553
2-(2,4-difluorophenyl)-1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]propan-2-ol
CID 133458145
N-[3-[[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide
CID 133456643

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine (CID 133456031) is N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine is CN(C)c1cc(CNc2nnc(Cc3ccc(F)cc3)s2)ccn1.
What is the InChIKey of N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is UCVDRZXGVXUHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5S/c1-23(2)15-9-13(7-8-19-15)11-20-17-22-21-16(24-17)10-12-3-5-14(18)6-4-12/h3-9H,10-11H2,1-2H3,(H,20,22).
What are the key properties of N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine?
N-[[2-(dimethylamino)-4-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)-4-pyridinyl]methyl]-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133456031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).