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

C15H15FN4OS — CID 133329855

IUPAC1-[[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]cyclobutan-1-ol
SMILESOC1(CNc2nn3cc(-c4ccc(F)cc4)nc3s2)CCC1
InChIInChI=1S/C15H15FN4OS/c16-11-4-2-10(3-5-11)12-8-20-14(18-12)22-13(19-20)17-9-15(21)6-1-7-15/h2-5,8,21H,1,6-7,9H2,(H,17,19)
InChIKeyJRZOHFZGIBGMRT-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.92
Rot. Bonds4

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

1-[[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]cyclobutan-1-ol (PubChem CID 133329855) has the molecular formula C15H15FN4OS and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-[[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]cyclobutan-1-ol
PubChem CID133329855
Molecular FormulaC15H15FN4OS
Molecular Weight318.38 g/mol
Exact Mass318.10
IUPAC Name1-[[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]cyclobutan-1-ol
SMILESOC1(CNc2nn3cc(-c4ccc(F)cc4)nc3s2)CCC1
InChIInChI=1S/C15H15FN4OS/c16-11-4-2-10(3-5-11)12-8-20-14(18-12)22-13(19-20)17-9-15(21)6-1-7-15/h2-5,8,21H,1,6-7,9H2,(H,17,19)
InChIKeyJRZOHFZGIBGMRT-UHFFFAOYSA-N
XLogP2.92
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]hydrazine
CID 60919771
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
3-(4-fluorophenyl)-2-[[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]propanamide
CID 133454034
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-(oxolan-2-ylmethoxy)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133314966
6-(4-fluorophenyl)-N-(2-morpholin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 167959752
3-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]-3-(furan-2-yl)propan-1-ol
CID 133493768
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-ethylsulfanyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 19209906
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride
CID 82020644
2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]ethanol
CID 47053019
4-[2-(cyclohexylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenol
CID 67221140

Frequently Asked Questions

What is the IUPAC name of 1-[[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]cyclobutan-1-ol (CID 133329855) is 1-[[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]cyclobutan-1-ol is OC1(CNc2nn3cc(-c4ccc(F)cc4)nc3s2)CCC1.
What is the InChIKey of 1-[[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]cyclobutan-1-ol?
The InChIKey is JRZOHFZGIBGMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4OS/c16-11-4-2-10(3-5-11)12-8-20-14(18-12)22-13(19-20)17-9-15(21)6-1-7-15/h2-5,8,21H,1,6-7,9H2,(H,17,19).
What are the key properties of 1-[[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]cyclobutan-1-ol?
1-[[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]cyclobutan-1-ol has a molecular weight of 318.38 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 133329855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).