(1S)-1-(4-fluorophenyl)-2-[methyl-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethanol

C14H15FN4OS — CID 95300283

IUPAC(1S)-1-(4-fluorophenyl)-2-[methyl-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethanol
SMILESCc1cn2nc(N(C)C[C@@H](O)c3ccc(F)cc3)sc2n1
InChIInChI=1S/C14H15FN4OS/c1-9-7-19-13(16-9)21-14(17-19)18(2)8-12(20)10-3-5-11(15)6-4-10/h3-7,12,20H,8H2,1-2H3/t12-/m1/s1
InChIKeyAZUJHJCAOFWSRS-GFCCVEGCSA-N
MW306.37 g/mol
LogP2.41
Rot. Bonds4

About (1S)-1-(4-fluorophenyl)-2-[methyl-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethanol

(1S)-1-(4-fluorophenyl)-2-[methyl-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethanol (PubChem CID 95300283) has the molecular formula C14H15FN4OS and a molecular weight of 306.37 g/mol. Its IUPAC name is (1S)-1-(4-fluorophenyl)-2-[methyl-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethanol.

Molecular Properties

Compound Name(1S)-1-(4-fluorophenyl)-2-[methyl-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethanol
PubChem CID95300283
Molecular FormulaC14H15FN4OS
Molecular Weight306.37 g/mol
Exact Mass306.10
IUPAC Name(1S)-1-(4-fluorophenyl)-2-[methyl-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethanol
SMILESCc1cn2nc(N(C)C[C@@H](O)c3ccc(F)cc3)sc2n1
InChIInChI=1S/C14H15FN4OS/c1-9-7-19-13(16-9)21-14(17-19)18(2)8-12(20)10-3-5-11(15)6-4-10/h3-7,12,20H,8H2,1-2H3/t12-/m1/s1
InChIKeyAZUJHJCAOFWSRS-GFCCVEGCSA-N
XLogP2.41
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-fluorophenyl)-2-[methyl-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethanol?
The IUPAC name of (1S)-1-(4-fluorophenyl)-2-[methyl-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethanol (CID 95300283) is (1S)-1-(4-fluorophenyl)-2-[methyl-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethanol.
What is the SMILES notation for (1S)-1-(4-fluorophenyl)-2-[methyl-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethanol?
The canonical SMILES for (1S)-1-(4-fluorophenyl)-2-[methyl-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethanol is Cc1cn2nc(N(C)C[C@@H](O)c3ccc(F)cc3)sc2n1.
What is the InChIKey of (1S)-1-(4-fluorophenyl)-2-[methyl-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethanol?
The InChIKey is AZUJHJCAOFWSRS-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H15FN4OS/c1-9-7-19-13(16-9)21-14(17-19)18(2)8-12(20)10-3-5-11(15)6-4-10/h3-7,12,20H,8H2,1-2H3/t12-/m1/s1.
What are the key properties of (1S)-1-(4-fluorophenyl)-2-[methyl-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethanol?
(1S)-1-(4-fluorophenyl)-2-[methyl-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethanol has a molecular weight of 306.37 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-fluorophenyl)-2-[methyl-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethanol is sourced from PubChem (CID 95300283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).