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

C19H20F3N5OS — CID 155230711

IUPAC3-[5-propan-2-yloxy-4-(trifluoromethyl)-2-pyridinyl]-N-(3-propan-2-yl-2-pyridinyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)Oc1cnc(-c2nsc(Nc3ncccc3C(C)C)n2)cc1C(F)(F)F
InChIInChI=1S/C19H20F3N5OS/c1-10(2)12-6-5-7-23-16(12)25-18-26-17(27-29-18)14-8-13(19(20,21)22)15(9-24-14)28-11(3)4/h5-11H,1-4H3,(H,23,25,26,27)
InChIKeySUZHIQQYMHNGIV-UHFFFAOYSA-N
MW423.46 g/mol
LogP5.67
Rot. Bonds6

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

3-[5-propan-2-yloxy-4-(trifluoromethyl)-2-pyridinyl]-N-(3-propan-2-yl-2-pyridinyl)-1,2,4-thiadiazol-5-amine (PubChem CID 155230711) has the molecular formula C19H20F3N5OS and a molecular weight of 423.46 g/mol. Its IUPAC name is 3-[5-propan-2-yloxy-4-(trifluoromethyl)-2-pyridinyl]-N-(3-propan-2-yl-2-pyridinyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[5-propan-2-yloxy-4-(trifluoromethyl)-2-pyridinyl]-N-(3-propan-2-yl-2-pyridinyl)-1,2,4-thiadiazol-5-amine
PubChem CID155230711
Molecular FormulaC19H20F3N5OS
Molecular Weight423.46 g/mol
Exact Mass423.13
IUPAC Name3-[5-propan-2-yloxy-4-(trifluoromethyl)-2-pyridinyl]-N-(3-propan-2-yl-2-pyridinyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)Oc1cnc(-c2nsc(Nc3ncccc3C(C)C)n2)cc1C(F)(F)F
InChIInChI=1S/C19H20F3N5OS/c1-10(2)12-6-5-7-23-16(12)25-18-26-17(27-29-18)14-8-13(19(20,21)22)15(9-24-14)28-11(3)4/h5-11H,1-4H3,(H,23,25,26,27)
InChIKeySUZHIQQYMHNGIV-UHFFFAOYSA-N
XLogP5.67
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.46
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-propan-2-yloxy-4-(trifluoromethyl)-2-pyridinyl]-N-(3-propan-2-yl-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[5-propan-2-yloxy-4-(trifluoromethyl)-2-pyridinyl]-N-(3-propan-2-yl-2-pyridinyl)-1,2,4-thiadiazol-5-amine (CID 155230711) is 3-[5-propan-2-yloxy-4-(trifluoromethyl)-2-pyridinyl]-N-(3-propan-2-yl-2-pyridinyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[5-propan-2-yloxy-4-(trifluoromethyl)-2-pyridinyl]-N-(3-propan-2-yl-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[5-propan-2-yloxy-4-(trifluoromethyl)-2-pyridinyl]-N-(3-propan-2-yl-2-pyridinyl)-1,2,4-thiadiazol-5-amine is CC(C)Oc1cnc(-c2nsc(Nc3ncccc3C(C)C)n2)cc1C(F)(F)F.
What is the InChIKey of 3-[5-propan-2-yloxy-4-(trifluoromethyl)-2-pyridinyl]-N-(3-propan-2-yl-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is SUZHIQQYMHNGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5OS/c1-10(2)12-6-5-7-23-16(12)25-18-26-17(27-29-18)14-8-13(19(20,21)22)15(9-24-14)28-11(3)4/h5-11H,1-4H3,(H,23,25,26,27).
What are the key properties of 3-[5-propan-2-yloxy-4-(trifluoromethyl)-2-pyridinyl]-N-(3-propan-2-yl-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
3-[5-propan-2-yloxy-4-(trifluoromethyl)-2-pyridinyl]-N-(3-propan-2-yl-2-pyridinyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 423.46 g/mol, XLogP of 5.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-propan-2-yloxy-4-(trifluoromethyl)-2-pyridinyl]-N-(3-propan-2-yl-2-pyridinyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 155230711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).