6-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C17H12FN7S2 — CID 133355248

IUPAC6-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESFc1ccc(-c2cn3nc(NCc4nc(-c5cccs5)n[nH]4)sc3n2)cc1
InChIInChI=1S/C17H12FN7S2/c18-11-5-3-10(4-6-11)12-9-25-17(20-12)27-16(24-25)19-8-14-21-15(23-22-14)13-2-1-7-26-13/h1-7,9H,8H2,(H,19,24)(H,21,22,23)
InChIKeyAWPAZMPZTBGXSI-UHFFFAOYSA-N
MW397.46 g/mol
LogP4.06
Rot. Bonds5

About 6-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

6-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 133355248) has the molecular formula C17H12FN7S2 and a molecular weight of 397.46 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID133355248
Molecular FormulaC17H12FN7S2
Molecular Weight397.46 g/mol
Exact Mass397.06
IUPAC Name6-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESFc1ccc(-c2cn3nc(NCc4nc(-c5cccs5)n[nH]4)sc3n2)cc1
InChIInChI=1S/C17H12FN7S2/c18-11-5-3-10(4-6-11)12-9-25-17(20-12)27-16(24-25)19-8-14-21-15(23-22-14)13-2-1-7-26-13/h1-7,9H,8H2,(H,19,24)(H,21,22,23)
InChIKeyAWPAZMPZTBGXSI-UHFFFAOYSA-N
XLogP4.06
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 155512934
2-(1H-indol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide
CID 162658499
2-(5-Fluoro-1-methylindol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide
CID 162668182
6-phenyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 39984089
4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,3-thiazol-2-amine
CID 155526690
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 42888563
2-(5-fluoro-1H-indol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 162395415
N-(2-pyridin-2-ylethyl)-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 58285417
N-(2-pyridin-4-ylethyl)-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 58285579
N-(pyridin-4-ylmethyl)-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 58285669
5-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 58285708
N-[(E)-[4-(7-methylimidazo[2,1-b][1,3]thiazol-4-ium-6-yl)phenyl]methylideneamino]-1H-1,2,4-triazol-5-amine bromide
CID 45266149

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 6-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 133355248) is 6-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 6-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is Fc1ccc(-c2cn3nc(NCc4nc(-c5cccs5)n[nH]4)sc3n2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is AWPAZMPZTBGXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN7S2/c18-11-5-3-10(4-6-11)12-9-25-17(20-12)27-16(24-25)19-8-14-21-15(23-22-14)13-2-1-7-26-13/h1-7,9H,8H2,(H,19,24)(H,21,22,23).
What are the key properties of 6-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
6-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 397.46 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 133355248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).