3-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-phenylbutan-2-ol

C18H24N4OS — CID 133400215

IUPAC3-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-phenylbutan-2-ol
SMILESCC(Nc1nn2cc(C(C)(C)C)nc2s1)C(O)Cc1ccccc1
InChIInChI=1S/C18H24N4OS/c1-12(14(23)10-13-8-6-5-7-9-13)19-16-21-22-11-15(18(2,3)4)20-17(22)24-16/h5-9,11-12,14,23H,10H2,1-4H3,(H,19,21)
InChIKeyXDRHAKPSLGFMQU-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.49
Rot. Bonds5

About 3-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-phenylbutan-2-ol

3-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-phenylbutan-2-ol (PubChem CID 133400215) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 3-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-phenylbutan-2-ol.

Molecular Properties

Compound Name3-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-phenylbutan-2-ol
PubChem CID133400215
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name3-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-phenylbutan-2-ol
SMILESCC(Nc1nn2cc(C(C)(C)C)nc2s1)C(O)Cc1ccccc1
InChIInChI=1S/C18H24N4OS/c1-12(14(23)10-13-8-6-5-7-9-13)19-16-21-22-11-15(18(2,3)4)20-17(22)24-16/h5-9,11-12,14,23H,10H2,1-4H3,(H,19,21)
InChIKeyXDRHAKPSLGFMQU-UHFFFAOYSA-N
XLogP3.49
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-phenylbutan-2-ol?
The IUPAC name of 3-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-phenylbutan-2-ol (CID 133400215) is 3-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-phenylbutan-2-ol.
What is the SMILES notation for 3-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-phenylbutan-2-ol?
The canonical SMILES for 3-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-phenylbutan-2-ol is CC(Nc1nn2cc(C(C)(C)C)nc2s1)C(O)Cc1ccccc1.
What is the InChIKey of 3-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-phenylbutan-2-ol?
The InChIKey is XDRHAKPSLGFMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-12(14(23)10-13-8-6-5-7-9-13)19-16-21-22-11-15(18(2,3)4)20-17(22)24-16/h5-9,11-12,14,23H,10H2,1-4H3,(H,19,21).
What are the key properties of 3-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-phenylbutan-2-ol?
3-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-phenylbutan-2-ol has a molecular weight of 344.48 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-phenylbutan-2-ol is sourced from PubChem (CID 133400215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).