3-N,3-N-dimethyl-2-N-[3-[4-propan-2-yloxy-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine

C18H19F3N6OS — CID 155230283

IUPAC3-N,3-N-dimethyl-2-N-[3-[4-propan-2-yloxy-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine
SMILESCC(C)Oc1cc(-c2nsc(Nc3ncccc3N(C)C)n2)ncc1C(F)(F)F
InChIInChI=1S/C18H19F3N6OS/c1-10(2)28-14-8-12(23-9-11(14)18(19,20)21)15-24-17(29-26-15)25-16-13(27(3)4)6-5-7-22-16/h5-10H,1-4H3,(H,22,24,25,26)
InChIKeyJSYGWUTXFFRWPQ-UHFFFAOYSA-N
MW424.45 g/mol
LogP4.61
Rot. Bonds6

About 3-N,3-N-dimethyl-2-N-[3-[4-propan-2-yloxy-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine

3-N,3-N-dimethyl-2-N-[3-[4-propan-2-yloxy-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine (PubChem CID 155230283) has the molecular formula C18H19F3N6OS and a molecular weight of 424.45 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-2-N-[3-[4-propan-2-yloxy-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethyl-2-N-[3-[4-propan-2-yloxy-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine
PubChem CID155230283
Molecular FormulaC18H19F3N6OS
Molecular Weight424.45 g/mol
Exact Mass424.13
IUPAC Name3-N,3-N-dimethyl-2-N-[3-[4-propan-2-yloxy-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine
SMILESCC(C)Oc1cc(-c2nsc(Nc3ncccc3N(C)C)n2)ncc1C(F)(F)F
InChIInChI=1S/C18H19F3N6OS/c1-10(2)28-14-8-12(23-9-11(14)18(19,20)21)15-24-17(29-26-15)25-16-13(27(3)4)6-5-7-22-16/h5-10H,1-4H3,(H,22,24,25,26)
InChIKeyJSYGWUTXFFRWPQ-UHFFFAOYSA-N
XLogP4.61
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-N,3-N-dimethyl-2-N-[3-[4-propan-2-yloxy-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-2-N-[3-[4-propan-2-yloxy-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine?
The IUPAC name of 3-N,3-N-dimethyl-2-N-[3-[4-propan-2-yloxy-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine (CID 155230283) is 3-N,3-N-dimethyl-2-N-[3-[4-propan-2-yloxy-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine.
What is the SMILES notation for 3-N,3-N-dimethyl-2-N-[3-[4-propan-2-yloxy-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine?
The canonical SMILES for 3-N,3-N-dimethyl-2-N-[3-[4-propan-2-yloxy-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine is CC(C)Oc1cc(-c2nsc(Nc3ncccc3N(C)C)n2)ncc1C(F)(F)F.
What is the InChIKey of 3-N,3-N-dimethyl-2-N-[3-[4-propan-2-yloxy-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine?
The InChIKey is JSYGWUTXFFRWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6OS/c1-10(2)28-14-8-12(23-9-11(14)18(19,20)21)15-24-17(29-26-15)25-16-13(27(3)4)6-5-7-22-16/h5-10H,1-4H3,(H,22,24,25,26).
What are the key properties of 3-N,3-N-dimethyl-2-N-[3-[4-propan-2-yloxy-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine?
3-N,3-N-dimethyl-2-N-[3-[4-propan-2-yloxy-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine has a molecular weight of 424.45 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-2-N-[3-[4-propan-2-yloxy-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine is sourced from PubChem (CID 155230283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).