N-[2-[(S)-(2-fluorophenyl)sulfinyl]ethyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

C13H13FN4OS2 — CID 95325925

IUPACN-[2-[(S)-(2-fluorophenyl)sulfinyl]ethyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1cn2nc(NCC[S@](=O)c3ccccc3F)sc2n1
InChIInChI=1S/C13H13FN4OS2/c1-9-8-18-13(16-9)20-12(17-18)15-6-7-21(19)11-5-3-2-4-10(11)14/h2-5,8H,6-7H2,1H3,(H,15,17)/t21-/m0/s1
InChIKeyMTTQBTDMDRUHCI-NRFANRHFSA-N
MW324.41 g/mol
LogP2.46
Rot. Bonds5

About N-[2-[(S)-(2-fluorophenyl)sulfinyl]ethyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-[2-[(S)-(2-fluorophenyl)sulfinyl]ethyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 95325925) has the molecular formula C13H13FN4OS2 and a molecular weight of 324.41 g/mol. Its IUPAC name is N-[2-[(S)-(2-fluorophenyl)sulfinyl]ethyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-[2-[(S)-(2-fluorophenyl)sulfinyl]ethyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID95325925
Molecular FormulaC13H13FN4OS2
Molecular Weight324.41 g/mol
Exact Mass324.05
IUPAC NameN-[2-[(S)-(2-fluorophenyl)sulfinyl]ethyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1cn2nc(NCC[S@](=O)c3ccccc3F)sc2n1
InChIInChI=1S/C13H13FN4OS2/c1-9-8-18-13(16-9)20-12(17-18)15-6-7-21(19)11-5-3-2-4-10(11)14/h2-5,8H,6-7H2,1H3,(H,15,17)/t21-/m0/s1
InChIKeyMTTQBTDMDRUHCI-NRFANRHFSA-N
XLogP2.46
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(S)-(2-fluorophenyl)sulfinyl]ethyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-[2-[(S)-(2-fluorophenyl)sulfinyl]ethyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 95325925) is N-[2-[(S)-(2-fluorophenyl)sulfinyl]ethyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-[2-[(S)-(2-fluorophenyl)sulfinyl]ethyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-[2-[(S)-(2-fluorophenyl)sulfinyl]ethyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is Cc1cn2nc(NCC[S@](=O)c3ccccc3F)sc2n1.
What is the InChIKey of N-[2-[(S)-(2-fluorophenyl)sulfinyl]ethyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is MTTQBTDMDRUHCI-NRFANRHFSA-N. The full InChI is InChI=1S/C13H13FN4OS2/c1-9-8-18-13(16-9)20-12(17-18)15-6-7-21(19)11-5-3-2-4-10(11)14/h2-5,8H,6-7H2,1H3,(H,15,17)/t21-/m0/s1.
What are the key properties of N-[2-[(S)-(2-fluorophenyl)sulfinyl]ethyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-[2-[(S)-(2-fluorophenyl)sulfinyl]ethyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 324.41 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(S)-(2-fluorophenyl)sulfinyl]ethyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 95325925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).