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

C19H20F3N5OS — CID 155230774

IUPAC3-(5-propan-2-yloxy-2-pyridinyl)-N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine
SMILESCC(C)Oc1ccc(-c2nsc(Nc3cc(C(F)(F)F)c(C(C)C)cn3)n2)nc1
InChIInChI=1S/C19H20F3N5OS/c1-10(2)13-9-24-16(7-14(13)19(20,21)22)25-18-26-17(27-29-18)15-6-5-12(8-23-15)28-11(3)4/h5-11H,1-4H3,(H,24,25,26,27)
InChIKeyBUMNKJWPZPLEQD-UHFFFAOYSA-N
MW423.46 g/mol
LogP5.67
Rot. Bonds6

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

3-(5-propan-2-yloxy-2-pyridinyl)-N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine (PubChem CID 155230774) has the molecular formula C19H20F3N5OS and a molecular weight of 423.46 g/mol. Its IUPAC name is 3-(5-propan-2-yloxy-2-pyridinyl)-N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(5-propan-2-yloxy-2-pyridinyl)-N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine
PubChem CID155230774
Molecular FormulaC19H20F3N5OS
Molecular Weight423.46 g/mol
Exact Mass423.13
IUPAC Name3-(5-propan-2-yloxy-2-pyridinyl)-N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine
SMILESCC(C)Oc1ccc(-c2nsc(Nc3cc(C(F)(F)F)c(C(C)C)cn3)n2)nc1
InChIInChI=1S/C19H20F3N5OS/c1-10(2)13-9-24-16(7-14(13)19(20,21)22)25-18-26-17(27-29-18)15-6-5-12(8-23-15)28-11(3)4/h5-11H,1-4H3,(H,24,25,26,27)
InChIKeyBUMNKJWPZPLEQD-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

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

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Related Compounds

(1S)-1-[4-[6-azanyl-5-(trifluoromethyloxy)pyridin-3-yl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methyl-propan-1-ol
CID 134590083
US10093664, Example 3
CID 134590089
(5-Ethoxy-[3,3'']bipyridinyl-6-yl)-(6-methyl-pyridin-2-yl)-amine
CID 11232032
(3-Ethoxy-5-pyrimidin-5-yl-pyridin-2-yl)-(6-methyl-pyridin-2-yl)-amine
CID 44404946
US10093664, Example 1
CID 134590099
3-[5-(1-cyclopropyl-3,3-difluoropiperidin-4-yl)oxypyridin-2-yl]-N-(3-methylpyridin-2-yl)-1,2,4-thiadiazol-5-amine
CID 155230143
3-N,3-N-dimethyl-2-N-[3-[5-propan-2-yloxy-4-(trifluoromethyl)pyridin-2-yl]-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine
CID 155230212
N-(3-methoxy-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine
CID 155230217
N-(3-methyl-2-pyridinyl)-3-[5-(oxan-4-yloxy)-2-pyridinyl]-1,2,4-thiadiazol-5-amine
CID 155230223
3-N-methyl-2-N-[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine
CID 155230270
3-N,3-N-dimethyl-2-N-[3-[4-propan-2-yloxy-5-(trifluoromethyl)pyridin-2-yl]-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine
CID 155230283
3-(3-cyclopropyloxypyridin-2-yl)-N-[5-propan-2-yl-4-(trifluoromethyl)pyridin-2-yl]-1,2,4-thiadiazol-5-amine
CID 155230314

Frequently Asked Questions

What is the IUPAC name of 3-(5-propan-2-yloxy-2-pyridinyl)-N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(5-propan-2-yloxy-2-pyridinyl)-N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine (CID 155230774) is 3-(5-propan-2-yloxy-2-pyridinyl)-N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(5-propan-2-yloxy-2-pyridinyl)-N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(5-propan-2-yloxy-2-pyridinyl)-N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine is CC(C)Oc1ccc(-c2nsc(Nc3cc(C(F)(F)F)c(C(C)C)cn3)n2)nc1.
What is the InChIKey of 3-(5-propan-2-yloxy-2-pyridinyl)-N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is BUMNKJWPZPLEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5OS/c1-10(2)13-9-24-16(7-14(13)19(20,21)22)25-18-26-17(27-29-18)15-6-5-12(8-23-15)28-11(3)4/h5-11H,1-4H3,(H,24,25,26,27).
What are the key properties of 3-(5-propan-2-yloxy-2-pyridinyl)-N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine?
3-(5-propan-2-yloxy-2-pyridinyl)-N-[5-propan-2-yl-4-(trifluoromethyl)-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-2-pyridinyl)-N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 155230774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).