6-(4-fluorophenyl)-N-(2-morpholin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C16H18FN5OS — CID 167959752

IUPAC6-(4-fluorophenyl)-N-(2-morpholin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESFc1ccc(-c2cn3nc(NCCC4CNCCO4)sc3n2)cc1
InChIInChI=1S/C16H18FN5OS/c17-12-3-1-11(2-4-12)14-10-22-16(20-14)24-15(21-22)19-6-5-13-9-18-7-8-23-13/h1-4,10,13,18H,5-9H2,(H,19,21)
InChIKeyHDPRIDVIEYSHPA-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.39
Rot. Bonds5

About 6-(4-fluorophenyl)-N-(2-morpholin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

6-(4-fluorophenyl)-N-(2-morpholin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 167959752) has the molecular formula C16H18FN5OS and a molecular weight of 347.42 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-(2-morpholin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-(2-morpholin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID167959752
Molecular FormulaC16H18FN5OS
Molecular Weight347.42 g/mol
Exact Mass347.12
IUPAC Name6-(4-fluorophenyl)-N-(2-morpholin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESFc1ccc(-c2cn3nc(NCCC4CNCCO4)sc3n2)cc1
InChIInChI=1S/C16H18FN5OS/c17-12-3-1-11(2-4-12)14-10-22-16(20-14)24-15(21-22)19-6-5-13-9-18-7-8-23-13/h1-4,10,13,18H,5-9H2,(H,19,21)
InChIKeyHDPRIDVIEYSHPA-UHFFFAOYSA-N
XLogP2.39
TPSA63.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-(2-morpholin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 6-(4-fluorophenyl)-N-(2-morpholin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 167959752) is 6-(4-fluorophenyl)-N-(2-morpholin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-N-(2-morpholin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 6-(4-fluorophenyl)-N-(2-morpholin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is Fc1ccc(-c2cn3nc(NCCC4CNCCO4)sc3n2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-N-(2-morpholin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is HDPRIDVIEYSHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5OS/c17-12-3-1-11(2-4-12)14-10-22-16(20-14)24-15(21-22)19-6-5-13-9-18-7-8-23-13/h1-4,10,13,18H,5-9H2,(H,19,21).
What are the key properties of 6-(4-fluorophenyl)-N-(2-morpholin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
6-(4-fluorophenyl)-N-(2-morpholin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 347.42 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-(2-morpholin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 167959752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).