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

C19H18F3N5OS — CID 155230314

IUPAC3-(3-cyclopropyloxy-2-pyridinyl)-N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1cnc(Nc2nc(-c3ncccc3OC3CC3)ns2)cc1C(F)(F)F
InChIInChI=1S/C19H18F3N5OS/c1-10(2)12-9-24-15(8-13(12)19(20,21)22)25-18-26-17(27-29-18)16-14(4-3-7-23-16)28-11-5-6-11/h3-4,7-11H,5-6H2,1-2H3,(H,24,25,26,27)
InChIKeyLRZZWARHEJFPCI-UHFFFAOYSA-N
MW421.45 g/mol
LogP5.42
Rot. Bonds6

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

3-(3-cyclopropyloxy-2-pyridinyl)-N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine (PubChem CID 155230314) has the molecular formula C19H18F3N5OS and a molecular weight of 421.45 g/mol. Its IUPAC name is 3-(3-cyclopropyloxy-2-pyridinyl)-N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(3-cyclopropyloxy-2-pyridinyl)-N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine
PubChem CID155230314
Molecular FormulaC19H18F3N5OS
Molecular Weight421.45 g/mol
Exact Mass421.12
IUPAC Name3-(3-cyclopropyloxy-2-pyridinyl)-N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1cnc(Nc2nc(-c3ncccc3OC3CC3)ns2)cc1C(F)(F)F
InChIInChI=1S/C19H18F3N5OS/c1-10(2)12-9-24-15(8-13(12)19(20,21)22)25-18-26-17(27-29-18)16-14(4-3-7-23-16)28-11-5-6-11/h3-4,7-11H,5-6H2,1-2H3,(H,24,25,26,27)
InChIKeyLRZZWARHEJFPCI-UHFFFAOYSA-N
XLogP5.42
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.45
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyloxy-2-pyridinyl)-N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(3-cyclopropyloxy-2-pyridinyl)-N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine (CID 155230314) is 3-(3-cyclopropyloxy-2-pyridinyl)-N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(3-cyclopropyloxy-2-pyridinyl)-N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(3-cyclopropyloxy-2-pyridinyl)-N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine is CC(C)c1cnc(Nc2nc(-c3ncccc3OC3CC3)ns2)cc1C(F)(F)F.
What is the InChIKey of 3-(3-cyclopropyloxy-2-pyridinyl)-N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is LRZZWARHEJFPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5OS/c1-10(2)12-9-24-15(8-13(12)19(20,21)22)25-18-26-17(27-29-18)16-14(4-3-7-23-16)28-11-5-6-11/h3-4,7-11H,5-6H2,1-2H3,(H,24,25,26,27).
What are the key properties of 3-(3-cyclopropyloxy-2-pyridinyl)-N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine?
3-(3-cyclopropyloxy-2-pyridinyl)-N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 421.45 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyloxy-2-pyridinyl)-N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 155230314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).