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

C12H10FN5S3 — CID 133426572

IUPACN-[(4-fluorophenyl)methyl]-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nsc(Sc2nnc(NCc3ccc(F)cc3)s2)n1
InChIInChI=1S/C12H10FN5S3/c1-7-15-11(21-18-7)20-12-17-16-10(19-12)14-6-8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H,14,16)
InChIKeyCLJXUGZDWNLBCD-UHFFFAOYSA-N
MW339.45 g/mol
LogP3.60
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 133426572) has the molecular formula C12H10FN5S3 and a molecular weight of 339.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID133426572
Molecular FormulaC12H10FN5S3
Molecular Weight339.45 g/mol
Exact Mass339.01
IUPAC NameN-[(4-fluorophenyl)methyl]-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nsc(Sc2nnc(NCc3ccc(F)cc3)s2)n1
InChIInChI=1S/C12H10FN5S3/c1-7-15-11(21-18-7)20-12-17-16-10(19-12)14-6-8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H,14,16)
InChIKeyCLJXUGZDWNLBCD-UHFFFAOYSA-N
XLogP3.60
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(4-fluorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64913971
N-[(4-chlorophenyl)methyl]-5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 110826482
5-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 56584898
ethyl 6-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-3-carboxylate
CID 31536868
N-[(4-fluorophenyl)methyl]-5-[(3-methyl-5-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-amine
CID 133426581
N-[(4-fluorophenyl)methyl]-5-(6-fluoroquinazolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine
CID 133426576
ethyl 4-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 24508275
N-[(4-fluorophenyl)methyl]-5-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 24666079
N-[(4-fluorophenyl)methyl]-5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 55996760
5-[(2-chlorophenyl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 41457859
1-(4-ethoxyphenoxy)-3-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol
CID 55436720
2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 27067460

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-thiadiazol-2-amine (CID 133426572) is N-[(4-fluorophenyl)methyl]-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-thiadiazol-2-amine is Cc1nsc(Sc2nnc(NCc3ccc(F)cc3)s2)n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is CLJXUGZDWNLBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5S3/c1-7-15-11(21-18-7)20-12-17-16-10(19-12)14-6-8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H,14,16).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-thiadiazol-2-amine?
N-[(4-fluorophenyl)methyl]-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 339.45 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133426572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).