N-(2-fluorophenyl)-5-(oxan-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine

C14H16FN3OS2 — CID 4791797

IUPACN-(2-fluorophenyl)-5-(oxan-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESFc1ccccc1Nc1nnc(SCC2CCCCO2)s1
InChIInChI=1S/C14H16FN3OS2/c15-11-6-1-2-7-12(11)16-13-17-18-14(21-13)20-9-10-5-3-4-8-19-10/h1-2,6-7,10H,3-5,8-9H2,(H,16,17)
InChIKeyRQIOVUCXPZGETB-UHFFFAOYSA-N
MW325.43 g/mol
LogP4.08
Rot. Bonds5

About N-(2-fluorophenyl)-5-(oxan-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine

N-(2-fluorophenyl)-5-(oxan-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine (PubChem CID 4791797) has the molecular formula C14H16FN3OS2 and a molecular weight of 325.43 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-(oxan-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-(oxan-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
PubChem CID4791797
Molecular FormulaC14H16FN3OS2
Molecular Weight325.43 g/mol
Exact Mass325.07
IUPAC NameN-(2-fluorophenyl)-5-(oxan-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESFc1ccccc1Nc1nnc(SCC2CCCCO2)s1
InChIInChI=1S/C14H16FN3OS2/c15-11-6-1-2-7-12(11)16-13-17-18-14(21-13)20-9-10-5-3-4-8-19-10/h1-2,6-7,10H,3-5,8-9H2,(H,16,17)
InChIKeyRQIOVUCXPZGETB-UHFFFAOYSA-N
XLogP4.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-5-(oxan-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2-fluorophenyl)-5-(oxan-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine (CID 4791797) is N-(2-fluorophenyl)-5-(oxan-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2-fluorophenyl)-5-(oxan-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2-fluorophenyl)-5-(oxan-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine is Fc1ccccc1Nc1nnc(SCC2CCCCO2)s1.
What is the InChIKey of N-(2-fluorophenyl)-5-(oxan-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is RQIOVUCXPZGETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS2/c15-11-6-1-2-7-12(11)16-13-17-18-14(21-13)20-9-10-5-3-4-8-19-10/h1-2,6-7,10H,3-5,8-9H2,(H,16,17).
What are the key properties of N-(2-fluorophenyl)-5-(oxan-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
N-(2-fluorophenyl)-5-(oxan-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 325.43 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-5-(oxan-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 4791797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).