5-[(4-fluorophenyl)methyl]-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1,3,4-thiadiazol-2-amine

C20H22FN5OS — CID 133456212

IUPAC5-[(4-fluorophenyl)methyl]-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1,3,4-thiadiazol-2-amine
SMILESCC1CN(c2ccc(CNc3nnc(Cc4ccc(F)cc4)s3)cn2)CCO1
InChIInChI=1S/C20H22FN5OS/c1-14-13-26(8-9-27-14)18-7-4-16(11-22-18)12-23-20-25-24-19(28-20)10-15-2-5-17(21)6-3-15/h2-7,11,14H,8-10,12-13H2,1H3,(H,23,25)
InChIKeyRAUUNMBKRIQWOR-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.50
Rot. Bonds6

About 5-[(4-fluorophenyl)methyl]-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1,3,4-thiadiazol-2-amine

5-[(4-fluorophenyl)methyl]-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 133456212) has the molecular formula C20H22FN5OS and a molecular weight of 399.50 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID133456212
Molecular FormulaC20H22FN5OS
Molecular Weight399.50 g/mol
Exact Mass399.15
IUPAC Name5-[(4-fluorophenyl)methyl]-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1,3,4-thiadiazol-2-amine
SMILESCC1CN(c2ccc(CNc3nnc(Cc4ccc(F)cc4)s3)cn2)CCO1
InChIInChI=1S/C20H22FN5OS/c1-14-13-26(8-9-27-14)18-7-4-16(11-22-18)12-23-20-25-24-19(28-20)10-15-2-5-17(21)6-3-15/h2-7,11,14H,8-10,12-13H2,1H3,(H,23,25)
InChIKeyRAUUNMBKRIQWOR-UHFFFAOYSA-N
XLogP3.50
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[(4-fluorophenyl)methyl]-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

2,3,5,6-tetrafluoro-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyridin-4-amine
CID 133338770
5-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 120969668
1-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969669
2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 110915666
N-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]-1,3-benzoxazol-2-amine
CID 94424980
7-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]isoquinolin-1-amine
CID 166239118
1-[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]methanamine
CID 124862439
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]methanamine
CID 94531051
1-tert-butylsulfanyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine
CID 75382775
1-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 56815402
2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(3-methylthiophen-2-yl)methyl]guanidine
CID 111892937
(2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]butanamide
CID 119846586

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1,3,4-thiadiazol-2-amine (CID 133456212) is 5-[(4-fluorophenyl)methyl]-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1,3,4-thiadiazol-2-amine is CC1CN(c2ccc(CNc3nnc(Cc4ccc(F)cc4)s3)cn2)CCO1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is RAUUNMBKRIQWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5OS/c1-14-13-26(8-9-27-14)18-7-4-16(11-22-18)12-23-20-25-24-19(28-20)10-15-2-5-17(21)6-3-15/h2-7,11,14H,8-10,12-13H2,1H3,(H,23,25).
What are the key properties of 5-[(4-fluorophenyl)methyl]-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1,3,4-thiadiazol-2-amine?
5-[(4-fluorophenyl)methyl]-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 399.50 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133456212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).