5-[(2R)-2-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]propyl]-2-(5-propan-2-yl-3-pyridinyl)-1,3-thiazole

C23H25N5S — CID 156522857

IUPAC5-[(2R)-2-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]propyl]-2-(5-propan-2-yl-3-pyridinyl)-1,3-thiazole
SMILESCC(C)c1cncc(-c2ncc(C[C@@H](C)c3cncc(-c4cnn(C)c4)c3)s2)c1
InChIInChI=1S/C23H25N5S/c1-15(2)17-6-20(11-24-8-17)23-26-13-22(29-23)5-16(3)18-7-19(10-25-9-18)21-12-27-28(4)14-21/h6-16H,5H2,1-4H3/t16-/m1/s1
InChIKeyWVNSFXIOFNSPQL-MRXNPFEDSA-N
MW403.56 g/mol
LogP5.47
Rot. Bonds6

About 5-[(2R)-2-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]propyl]-2-(5-propan-2-yl-3-pyridinyl)-1,3-thiazole

5-[(2R)-2-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]propyl]-2-(5-propan-2-yl-3-pyridinyl)-1,3-thiazole (PubChem CID 156522857) has the molecular formula C23H25N5S and a molecular weight of 403.56 g/mol. Its IUPAC name is 5-[(2R)-2-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]propyl]-2-(5-propan-2-yl-3-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name5-[(2R)-2-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]propyl]-2-(5-propan-2-yl-3-pyridinyl)-1,3-thiazole
PubChem CID156522857
Molecular FormulaC23H25N5S
Molecular Weight403.56 g/mol
Exact Mass403.18
IUPAC Name5-[(2R)-2-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]propyl]-2-(5-propan-2-yl-3-pyridinyl)-1,3-thiazole
SMILESCC(C)c1cncc(-c2ncc(C[C@@H](C)c3cncc(-c4cnn(C)c4)c3)s2)c1
InChIInChI=1S/C23H25N5S/c1-15(2)17-6-20(11-24-8-17)23-26-13-22(29-23)5-16(3)18-7-19(10-25-9-18)21-12-27-28(4)14-21/h6-16H,5H2,1-4H3/t16-/m1/s1
InChIKeyWVNSFXIOFNSPQL-MRXNPFEDSA-N
XLogP5.47
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.56
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]propyl]-2-(5-propan-2-yl-3-pyridinyl)-1,3-thiazole?
The IUPAC name of 5-[(2R)-2-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]propyl]-2-(5-propan-2-yl-3-pyridinyl)-1,3-thiazole (CID 156522857) is 5-[(2R)-2-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]propyl]-2-(5-propan-2-yl-3-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 5-[(2R)-2-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]propyl]-2-(5-propan-2-yl-3-pyridinyl)-1,3-thiazole?
The canonical SMILES for 5-[(2R)-2-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]propyl]-2-(5-propan-2-yl-3-pyridinyl)-1,3-thiazole is CC(C)c1cncc(-c2ncc(C[C@@H](C)c3cncc(-c4cnn(C)c4)c3)s2)c1.
What is the InChIKey of 5-[(2R)-2-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]propyl]-2-(5-propan-2-yl-3-pyridinyl)-1,3-thiazole?
The InChIKey is WVNSFXIOFNSPQL-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H25N5S/c1-15(2)17-6-20(11-24-8-17)23-26-13-22(29-23)5-16(3)18-7-19(10-25-9-18)21-12-27-28(4)14-21/h6-16H,5H2,1-4H3/t16-/m1/s1.
What are the key properties of 5-[(2R)-2-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]propyl]-2-(5-propan-2-yl-3-pyridinyl)-1,3-thiazole?
5-[(2R)-2-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]propyl]-2-(5-propan-2-yl-3-pyridinyl)-1,3-thiazole has a molecular weight of 403.56 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]propyl]-2-(5-propan-2-yl-3-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 156522857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).