5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine

C10H9ClFN3S2 — CID 870054

IUPAC5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(SCc2c(F)cccc2Cl)s1
InChIInChI=1S/C10H9ClFN3S2/c1-13-9-14-15-10(17-9)16-5-6-7(11)3-2-4-8(6)12/h2-4H,5H2,1H3,(H,13,14)
InChIKeyFPJIPEPFRMCRTF-UHFFFAOYSA-N
MW289.79 g/mol
LogP3.66
Rot. Bonds4

About 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine

5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 870054) has the molecular formula C10H9ClFN3S2 and a molecular weight of 289.79 g/mol. Its IUPAC name is 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID870054
Molecular FormulaC10H9ClFN3S2
Molecular Weight289.79 g/mol
Exact Mass288.99
IUPAC Name5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(SCc2c(F)cccc2Cl)s1
InChIInChI=1S/C10H9ClFN3S2/c1-13-9-14-15-10(17-9)16-5-6-7(11)3-2-4-8(6)12/h2-4H,5H2,1H3,(H,13,14)
InChIKeyFPJIPEPFRMCRTF-UHFFFAOYSA-N
XLogP3.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(((4-Chlorophenyl)methyl)thio)-1,3,4-thiadiazol-2-amine
CID 351887
5-[(2-Chloro-4-fluorobenzyl)thio]-1,3,4-thiadiazol-2-amine
CID 972610
5-[(2-Chlorobenzyl)thio]-1,3,4-thiadiazol-2-amine
CID 673926
5-{[(2-Chloro-6-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-amine
CID 728593
5-{[1-(2-Chlorophenyl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-amine
CID 587037
5-[(3-Chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-amine
CID 975325
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-methyl-1H-1,2,4-triazole-5-thione
CID 2800990
5-{[(2,6-Dichlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-amine
CID 729702
5-(benzylthio)-N-methyl-1,3,4-thiadiazol-2-amine
CID 805117
5-(((3-Fluorophenyl)methyl)thio)-N-methyl-1,3,4-thiadiazol-2-amine
CID 8228889
N'-[5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-N,N-dimethylmethanimidamide
CID 2805618
5-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 17448392

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine (CID 870054) is 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine is CNc1nnc(SCc2c(F)cccc2Cl)s1.
What is the InChIKey of 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is FPJIPEPFRMCRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3S2/c1-13-9-14-15-10(17-9)16-5-6-7(11)3-2-4-8(6)12/h2-4H,5H2,1H3,(H,13,14).
What are the key properties of 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine?
5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 289.79 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 870054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).