4-[[5-(3-chloro-4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol

C16H16ClFN4OS — CID 58285505

IUPAC4-[[5-(3-chloro-4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nn3c(-c4ccc(F)c(Cl)c4)cnc3s2)CC1
InChIInChI=1S/C16H16ClFN4OS/c17-12-7-9(1-6-13(12)18)14-8-19-16-22(14)21-15(24-16)20-10-2-4-11(23)5-3-10/h1,6-8,10-11,23H,2-5H2,(H,20,21)
InChIKeyYOWKDPKNHWMGNU-UHFFFAOYSA-N
MW366.85 g/mol
LogP3.97
Rot. Bonds3

About 4-[[5-(3-chloro-4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol

4-[[5-(3-chloro-4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol (PubChem CID 58285505) has the molecular formula C16H16ClFN4OS and a molecular weight of 366.85 g/mol. Its IUPAC name is 4-[[5-(3-chloro-4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[5-(3-chloro-4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol
PubChem CID58285505
Molecular FormulaC16H16ClFN4OS
Molecular Weight366.85 g/mol
Exact Mass366.07
IUPAC Name4-[[5-(3-chloro-4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nn3c(-c4ccc(F)c(Cl)c4)cnc3s2)CC1
InChIInChI=1S/C16H16ClFN4OS/c17-12-7-9(1-6-13(12)18)14-8-19-16-22(14)21-15(24-16)20-10-2-4-11(23)5-3-10/h1,6-8,10-11,23H,2-5H2,(H,20,21)
InChIKeyYOWKDPKNHWMGNU-UHFFFAOYSA-N
XLogP3.97
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3-chloro-4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[5-(3-chloro-4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol (CID 58285505) is 4-[[5-(3-chloro-4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[5-(3-chloro-4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[5-(3-chloro-4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2nn3c(-c4ccc(F)c(Cl)c4)cnc3s2)CC1.
What is the InChIKey of 4-[[5-(3-chloro-4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol?
The InChIKey is YOWKDPKNHWMGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN4OS/c17-12-7-9(1-6-13(12)18)14-8-19-16-22(14)21-15(24-16)20-10-2-4-11(23)5-3-10/h1,6-8,10-11,23H,2-5H2,(H,20,21).
What are the key properties of 4-[[5-(3-chloro-4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol?
4-[[5-(3-chloro-4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol has a molecular weight of 366.85 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3-chloro-4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 58285505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).