6-(4-fluorophenyl)-N-[2-(oxolan-2-ylmethoxy)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C17H19FN4O2S — CID 133314966

IUPAC6-(4-fluorophenyl)-N-[2-(oxolan-2-ylmethoxy)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESFc1ccc(-c2cn3nc(NCCOCC4CCCO4)sc3n2)cc1
InChIInChI=1S/C17H19FN4O2S/c18-13-5-3-12(4-6-13)15-10-22-17(20-15)25-16(21-22)19-7-9-23-11-14-2-1-8-24-14/h3-6,10,14H,1-2,7-9,11H2,(H,19,21)
InChIKeyOLNZMKXAHHGORT-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.20
Rot. Bonds7

About 6-(4-fluorophenyl)-N-[2-(oxolan-2-ylmethoxy)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

6-(4-fluorophenyl)-N-[2-(oxolan-2-ylmethoxy)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 133314966) has the molecular formula C17H19FN4O2S and a molecular weight of 362.43 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-[2-(oxolan-2-ylmethoxy)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-[2-(oxolan-2-ylmethoxy)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID133314966
Molecular FormulaC17H19FN4O2S
Molecular Weight362.43 g/mol
Exact Mass362.12
IUPAC Name6-(4-fluorophenyl)-N-[2-(oxolan-2-ylmethoxy)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESFc1ccc(-c2cn3nc(NCCOCC4CCCO4)sc3n2)cc1
InChIInChI=1S/C17H19FN4O2S/c18-13-5-3-12(4-6-13)15-10-22-17(20-15)25-16(21-22)19-7-9-23-11-14-2-1-8-24-14/h3-6,10,14H,1-2,7-9,11H2,(H,19,21)
InChIKeyOLNZMKXAHHGORT-UHFFFAOYSA-N
XLogP3.20
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 127470241
2,3,5,6-tetrafluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]pyridin-4-amine
CID 133388031
1-(4-fluorophenyl)-3-[3-(oxolan-2-ylmethoxy)propyl]urea
CID 18101613
4,6-dimethyl-N-[2-(oxolan-2-ylmethoxy)ethyl]pyrimidin-2-amine
CID 133315058
6-nitro-N-[2-(oxolan-2-ylmethoxy)ethyl]-1,3-benzothiazol-2-amine
CID 75371848
3-iodo-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyridin-2-amine
CID 97215805
6-(4-chlorophenyl)-2-(oxolan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 19209571
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133269862
2-[(4-fluorophenoxy)methyl]-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]-1,3-thiazole-5-carboxamide
CID 112808780
N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide
CID 4124075
3-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]-3-(furan-2-yl)propan-1-ol
CID 133493768
6-(3-chlorophenyl)-N-(oxan-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67221230

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-[2-(oxolan-2-ylmethoxy)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 6-(4-fluorophenyl)-N-[2-(oxolan-2-ylmethoxy)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 133314966) is 6-(4-fluorophenyl)-N-[2-(oxolan-2-ylmethoxy)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-N-[2-(oxolan-2-ylmethoxy)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 6-(4-fluorophenyl)-N-[2-(oxolan-2-ylmethoxy)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is Fc1ccc(-c2cn3nc(NCCOCC4CCCO4)sc3n2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-N-[2-(oxolan-2-ylmethoxy)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is OLNZMKXAHHGORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2S/c18-13-5-3-12(4-6-13)15-10-22-17(20-15)25-16(21-22)19-7-9-23-11-14-2-1-8-24-14/h3-6,10,14H,1-2,7-9,11H2,(H,19,21).
What are the key properties of 6-(4-fluorophenyl)-N-[2-(oxolan-2-ylmethoxy)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
6-(4-fluorophenyl)-N-[2-(oxolan-2-ylmethoxy)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 362.43 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-[2-(oxolan-2-ylmethoxy)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 133314966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).