6-tert-butyl-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C17H24N6OS — CID 129330886

IUPAC6-tert-butyl-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCn1cncc1[C@@H]1C[C@@H](Nc2nn3cc(C(C)(C)C)nc3s2)CCO1
InChIInChI=1S/C17H24N6OS/c1-17(2,3)14-9-23-16(20-14)25-15(21-23)19-11-5-6-24-13(7-11)12-8-18-10-22(12)4/h8-11,13H,5-7H2,1-4H3,(H,19,21)/t11-,13-/m0/s1
InChIKeyIOHHRVGYBZADJL-AAEUAGOBSA-N
MW360.49 g/mol
LogP3.15
Rot. Bonds3

About 6-tert-butyl-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

6-tert-butyl-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 129330886) has the molecular formula C17H24N6OS and a molecular weight of 360.49 g/mol. Its IUPAC name is 6-tert-butyl-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name6-tert-butyl-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID129330886
Molecular FormulaC17H24N6OS
Molecular Weight360.49 g/mol
Exact Mass360.17
IUPAC Name6-tert-butyl-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCn1cncc1[C@@H]1C[C@@H](Nc2nn3cc(C(C)(C)C)nc3s2)CCO1
InChIInChI=1S/C17H24N6OS/c1-17(2,3)14-9-23-16(20-14)25-15(21-23)19-11-5-6-24-13(7-11)12-8-18-10-22(12)4/h8-11,13H,5-7H2,1-4H3,(H,19,21)/t11-,13-/m0/s1
InChIKeyIOHHRVGYBZADJL-AAEUAGOBSA-N
XLogP3.15
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 6-tert-butyl-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 129330886) is 6-tert-butyl-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 6-tert-butyl-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 6-tert-butyl-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is Cn1cncc1[C@@H]1C[C@@H](Nc2nn3cc(C(C)(C)C)nc3s2)CCO1.
What is the InChIKey of 6-tert-butyl-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is IOHHRVGYBZADJL-AAEUAGOBSA-N. The full InChI is InChI=1S/C17H24N6OS/c1-17(2,3)14-9-23-16(20-14)25-15(21-23)19-11-5-6-24-13(7-11)12-8-18-10-22(12)4/h8-11,13H,5-7H2,1-4H3,(H,19,21)/t11-,13-/m0/s1.
What are the key properties of 6-tert-butyl-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
6-tert-butyl-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 360.49 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 129330886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).