5-fluoro-2-piperidin-1-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide

C23H24FN7OS — CID 135387526

IUPAC5-fluoro-2-piperidin-1-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide
SMILESCC(C)N1C=NN=C1C2=NC(=CC=C2)NC(=O)C3=CC4=C(C=C3F)N=C(S4)N5CCCCC5
InChIInChI=1S/C23H24FN7OS/c1-14(2)31-13-25-29-21(31)17-7-6-8-20(26-17)28-22(32)15-11-19-18(12-16(15)24)27-23(33-19)30-9-4-3-5-10-30/h6-8,11-14H,3-5,9-10H2,1-2H3,(H,26,28,32)
InChIKeyFFMACSVTHZOYSQ-UHFFFAOYSA-N
MW465.50 g/mol
LogP3.80
Rot. Bonds5

About 5-fluoro-2-piperidin-1-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide

5-fluoro-2-piperidin-1-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 135387526) has the molecular formula C23H24FN7OS and a molecular weight of 465.50 g/mol. Its IUPAC name is 5-fluoro-2-piperidin-1-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name5-fluoro-2-piperidin-1-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide
PubChem CID135387526
Molecular FormulaC23H24FN7OS
Molecular Weight465.50 g/mol
Exact Mass465.17
IUPAC Name5-fluoro-2-piperidin-1-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide
SMILESCC(C)N1C=NN=C1C2=NC(=CC=C2)NC(=O)C3=CC4=C(C=C3F)N=C(S4)N5CCCCC5
InChIInChI=1S/C23H24FN7OS/c1-14(2)31-13-25-29-21(31)17-7-6-8-20(26-17)28-22(32)15-11-19-18(12-16(15)24)27-23(33-19)30-9-4-3-5-10-30/h6-8,11-14H,3-5,9-10H2,1-2H3,(H,26,28,32)
InChIKeyFFMACSVTHZOYSQ-UHFFFAOYSA-N
XLogP3.80
TPSA117.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity681

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.50
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-piperidin-1-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 5-fluoro-2-piperidin-1-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide (CID 135387526) is 5-fluoro-2-piperidin-1-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 5-fluoro-2-piperidin-1-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 5-fluoro-2-piperidin-1-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide is CC(C)N1C=NN=C1C2=NC(=CC=C2)NC(=O)C3=CC4=C(C=C3F)N=C(S4)N5CCCCC5.
What is the InChIKey of 5-fluoro-2-piperidin-1-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is FFMACSVTHZOYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7OS/c1-14(2)31-13-25-29-21(31)17-7-6-8-20(26-17)28-22(32)15-11-19-18(12-16(15)24)27-23(33-19)30-9-4-3-5-10-30/h6-8,11-14H,3-5,9-10H2,1-2H3,(H,26,28,32).
What are the key properties of 5-fluoro-2-piperidin-1-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide?
5-fluoro-2-piperidin-1-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 465.50 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-piperidin-1-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 135387526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).