3-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]-3-(furan-2-yl)propan-1-ol

C17H15FN4O2S — CID 133493768

IUPAC3-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]-3-(furan-2-yl)propan-1-ol
SMILESOCCC(Nc1nn2cc(-c3ccc(F)cc3)nc2s1)c1ccco1
InChIInChI=1S/C17H15FN4O2S/c18-12-5-3-11(4-6-12)14-10-22-17(20-14)25-16(21-22)19-13(7-8-23)15-2-1-9-24-15/h1-6,9-10,13,23H,7-8H2,(H,19,21)
InChIKeyNSMSGMRGWMVUQM-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.73
Rot. Bonds6

About 3-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]-3-(furan-2-yl)propan-1-ol

3-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]-3-(furan-2-yl)propan-1-ol (PubChem CID 133493768) has the molecular formula C17H15FN4O2S and a molecular weight of 358.40 g/mol. Its IUPAC name is 3-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]-3-(furan-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]-3-(furan-2-yl)propan-1-ol
PubChem CID133493768
Molecular FormulaC17H15FN4O2S
Molecular Weight358.40 g/mol
Exact Mass358.09
IUPAC Name3-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]-3-(furan-2-yl)propan-1-ol
SMILESOCCC(Nc1nn2cc(-c3ccc(F)cc3)nc2s1)c1ccco1
InChIInChI=1S/C17H15FN4O2S/c18-12-5-3-11(4-6-12)14-10-22-17(20-14)25-16(21-22)19-13(7-8-23)15-2-1-9-24-15/h1-6,9-10,13,23H,7-8H2,(H,19,21)
InChIKeyNSMSGMRGWMVUQM-UHFFFAOYSA-N
XLogP3.73
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]hydrazine
CID 60919771
7-ethyl-2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133490844
1-[[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]cyclobutan-1-ol
CID 133329855
3-(4-fluorophenyl)-2-[[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]propanamide
CID 133454034
2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]ethanol
CID 47053019
3-(furan-2-yl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
CID 133490778
2-(4-fluorophenyl)-2-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]acetamide
CID 133476321
(E)-3-[4-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]prop-2-enoic acid
CID 67337005
N-(furan-2-ylmethyl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67221006
2-(4-chloro-3-fluorophenyl)-2-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethanol
CID 133463081
6-(4-fluorophenyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133486913
6-(4-fluorophenyl)-N-(2-morpholin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 167959752

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]-3-(furan-2-yl)propan-1-ol?
The IUPAC name of 3-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]-3-(furan-2-yl)propan-1-ol (CID 133493768) is 3-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]-3-(furan-2-yl)propan-1-ol.
What is the SMILES notation for 3-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]-3-(furan-2-yl)propan-1-ol?
The canonical SMILES for 3-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]-3-(furan-2-yl)propan-1-ol is OCCC(Nc1nn2cc(-c3ccc(F)cc3)nc2s1)c1ccco1.
What is the InChIKey of 3-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]-3-(furan-2-yl)propan-1-ol?
The InChIKey is NSMSGMRGWMVUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2S/c18-12-5-3-11(4-6-12)14-10-22-17(20-14)25-16(21-22)19-13(7-8-23)15-2-1-9-24-15/h1-6,9-10,13,23H,7-8H2,(H,19,21).
What are the key properties of 3-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]-3-(furan-2-yl)propan-1-ol?
3-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]-3-(furan-2-yl)propan-1-ol has a molecular weight of 358.40 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]-3-(furan-2-yl)propan-1-ol is sourced from PubChem (CID 133493768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).