(2R)-2-amino-3-[5-chloro-4-[5-(5-chloro-6-propan-2-yloxy-2-pyridinyl)-1,3,4-thiadiazol-2-yl]-2-fluorophenoxy]propan-1-ol

C19H19Cl2FN4O3S — CID 91102943

IUPAC(2R)-2-amino-3-[5-chloro-4-[5-(5-chloro-6-propan-2-yloxy-2-pyridinyl)-1,3,4-thiadiazol-2-yl]-2-fluorophenoxy]propan-1-ol
SMILESCC(C)Oc1nc(-c2nnc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)s2)ccc1Cl
InChIInChI=1S/C19H19Cl2FN4O3S/c1-9(2)29-17-12(20)3-4-15(24-17)19-26-25-18(30-19)11-5-14(22)16(6-13(11)21)28-8-10(23)7-27/h3-6,9-10,27H,7-8,23H2,1-2H3/t10-/m1/s1
InChIKeyVIGNLAGFFVFJJV-SNVBAGLBSA-N
MW473.36 g/mol
LogP4.20
Rot. Bonds8

About (2R)-2-amino-3-[5-chloro-4-[5-(5-chloro-6-propan-2-yloxy-2-pyridinyl)-1,3,4-thiadiazol-2-yl]-2-fluorophenoxy]propan-1-ol

(2R)-2-amino-3-[5-chloro-4-[5-(5-chloro-6-propan-2-yloxy-2-pyridinyl)-1,3,4-thiadiazol-2-yl]-2-fluorophenoxy]propan-1-ol (PubChem CID 91102943) has the molecular formula C19H19Cl2FN4O3S and a molecular weight of 473.36 g/mol. Its IUPAC name is (2R)-2-amino-3-[5-chloro-4-[5-(5-chloro-6-propan-2-yloxy-2-pyridinyl)-1,3,4-thiadiazol-2-yl]-2-fluorophenoxy]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-3-[5-chloro-4-[5-(5-chloro-6-propan-2-yloxy-2-pyridinyl)-1,3,4-thiadiazol-2-yl]-2-fluorophenoxy]propan-1-ol
PubChem CID91102943
Molecular FormulaC19H19Cl2FN4O3S
Molecular Weight473.36 g/mol
Exact Mass472.05
IUPAC Name(2R)-2-amino-3-[5-chloro-4-[5-(5-chloro-6-propan-2-yloxy-2-pyridinyl)-1,3,4-thiadiazol-2-yl]-2-fluorophenoxy]propan-1-ol
SMILESCC(C)Oc1nc(-c2nnc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)s2)ccc1Cl
InChIInChI=1S/C19H19Cl2FN4O3S/c1-9(2)29-17-12(20)3-4-15(24-17)19-26-25-18(30-19)11-5-14(22)16(6-13(11)21)28-8-10(23)7-27/h3-6,9-10,27H,7-8,23H2,1-2H3/t10-/m1/s1
InChIKeyVIGNLAGFFVFJJV-SNVBAGLBSA-N
XLogP4.20
TPSA103.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.36
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2R)-2-amino-3-[5-chloro-4-[5-(5-chloro-6-propan-2-yloxy-2-pyridinyl)-1,3,4-thiadiazol-2-yl]-2-fluorophenoxy]propan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[5-chloro-4-[5-(5-chloro-6-propan-2-yloxy-2-pyridinyl)-1,3,4-thiadiazol-2-yl]-2-fluorophenoxy]propan-1-ol?
The IUPAC name of (2R)-2-amino-3-[5-chloro-4-[5-(5-chloro-6-propan-2-yloxy-2-pyridinyl)-1,3,4-thiadiazol-2-yl]-2-fluorophenoxy]propan-1-ol (CID 91102943) is (2R)-2-amino-3-[5-chloro-4-[5-(5-chloro-6-propan-2-yloxy-2-pyridinyl)-1,3,4-thiadiazol-2-yl]-2-fluorophenoxy]propan-1-ol.
What is the SMILES notation for (2R)-2-amino-3-[5-chloro-4-[5-(5-chloro-6-propan-2-yloxy-2-pyridinyl)-1,3,4-thiadiazol-2-yl]-2-fluorophenoxy]propan-1-ol?
The canonical SMILES for (2R)-2-amino-3-[5-chloro-4-[5-(5-chloro-6-propan-2-yloxy-2-pyridinyl)-1,3,4-thiadiazol-2-yl]-2-fluorophenoxy]propan-1-ol is CC(C)Oc1nc(-c2nnc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)s2)ccc1Cl.
What is the InChIKey of (2R)-2-amino-3-[5-chloro-4-[5-(5-chloro-6-propan-2-yloxy-2-pyridinyl)-1,3,4-thiadiazol-2-yl]-2-fluorophenoxy]propan-1-ol?
The InChIKey is VIGNLAGFFVFJJV-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H19Cl2FN4O3S/c1-9(2)29-17-12(20)3-4-15(24-17)19-26-25-18(30-19)11-5-14(22)16(6-13(11)21)28-8-10(23)7-27/h3-6,9-10,27H,7-8,23H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-2-amino-3-[5-chloro-4-[5-(5-chloro-6-propan-2-yloxy-2-pyridinyl)-1,3,4-thiadiazol-2-yl]-2-fluorophenoxy]propan-1-ol?
(2R)-2-amino-3-[5-chloro-4-[5-(5-chloro-6-propan-2-yloxy-2-pyridinyl)-1,3,4-thiadiazol-2-yl]-2-fluorophenoxy]propan-1-ol has a molecular weight of 473.36 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[5-chloro-4-[5-(5-chloro-6-propan-2-yloxy-2-pyridinyl)-1,3,4-thiadiazol-2-yl]-2-fluorophenoxy]propan-1-ol is sourced from PubChem (CID 91102943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).