6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

C15H16F3N7S — CID 66748751

IUPAC6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESNc1ncc(-c2cn3nc(NC4CCNCC4)sc3n2)cc1C(F)(F)F
InChIInChI=1S/C15H16F3N7S/c16-15(17,18)10-5-8(6-21-12(10)19)11-7-25-14(23-11)26-13(24-25)22-9-1-3-20-4-2-9/h5-7,9,20H,1-4H2,(H2,19,21)(H,22,24)
InChIKeyAQHLULJIZSISOI-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.62
Rot. Bonds3

About 6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 66748751) has the molecular formula C15H16F3N7S and a molecular weight of 383.40 g/mol. Its IUPAC name is 6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID66748751
Molecular FormulaC15H16F3N7S
Molecular Weight383.40 g/mol
Exact Mass383.11
IUPAC Name6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESNc1ncc(-c2cn3nc(NC4CCNCC4)sc3n2)cc1C(F)(F)F
InChIInChI=1S/C15H16F3N7S/c16-15(17,18)10-5-8(6-21-12(10)19)11-7-25-14(23-11)26-13(24-25)22-9-1-3-20-4-2-9/h5-7,9,20H,1-4H2,(H2,19,21)(H,22,24)
InChIKeyAQHLULJIZSISOI-UHFFFAOYSA-N
XLogP2.62
TPSA93.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]-N-ethylpiperidine-1-carboxamide
CID 66749413
N-[4-[[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexyl]acetamide
CID 66749819
N-[1-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]methanesulfonamide
CID 66748618
tert-butyl N-[3-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]propyl]carbamate
CID 66749514
4-[[6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol
CID 67221061
4-[2-(cyclohexylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenol
CID 67221140
5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-[4-(2-fluoroethoxyimino)cyclohexyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 56836649
5-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 66716935
4-[[6-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol
CID 67221717
5-(1,2-dicyclopropylimidazol-4-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 134280965
6-[[2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]oxy]-N-cyclohexyl-1,3-benzothiazol-2-amine
CID 89325539
5-[1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-1-yl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 163773224

Frequently Asked Questions

What is the IUPAC name of 6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 66748751) is 6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is Nc1ncc(-c2cn3nc(NC4CCNCC4)sc3n2)cc1C(F)(F)F.
What is the InChIKey of 6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is AQHLULJIZSISOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N7S/c16-15(17,18)10-5-8(6-21-12(10)19)11-7-25-14(23-11)26-13(24-25)22-9-1-3-20-4-2-9/h5-7,9,20H,1-4H2,(H2,19,21)(H,22,24).
What are the key properties of 6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 383.40 g/mol, XLogP of 2.62, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 66748751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).