2-[3-[4-(5-methoxy-2-pyridinyl)piperidin-1-yl]propyl]-1,3-benzothiazole

C21H25N3OS — CID 164937998

IUPAC2-[3-[4-(5-methoxy-2-pyridinyl)piperidin-1-yl]propyl]-1,3-benzothiazole
SMILESCOc1ccc(C2CCN(CCCc3nc4ccccc4s3)CC2)nc1
InChIInChI=1S/C21H25N3OS/c1-25-17-8-9-18(22-15-17)16-10-13-24(14-11-16)12-4-7-21-23-19-5-2-3-6-20(19)26-21/h2-3,5-6,8-9,15-16H,4,7,10-14H2,1H3
InChIKeyNNGCPQMNTNEUCA-UHFFFAOYSA-N
MW367.52 g/mol
LogP4.51
Rot. Bonds6

About 2-[3-[4-(5-methoxy-2-pyridinyl)piperidin-1-yl]propyl]-1,3-benzothiazole

2-[3-[4-(5-methoxy-2-pyridinyl)piperidin-1-yl]propyl]-1,3-benzothiazole (PubChem CID 164937998) has the molecular formula C21H25N3OS and a molecular weight of 367.52 g/mol. Its IUPAC name is 2-[3-[4-(5-methoxy-2-pyridinyl)piperidin-1-yl]propyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[3-[4-(5-methoxy-2-pyridinyl)piperidin-1-yl]propyl]-1,3-benzothiazole
PubChem CID164937998
Molecular FormulaC21H25N3OS
Molecular Weight367.52 g/mol
Exact Mass367.17
IUPAC Name2-[3-[4-(5-methoxy-2-pyridinyl)piperidin-1-yl]propyl]-1,3-benzothiazole
SMILESCOc1ccc(C2CCN(CCCc3nc4ccccc4s3)CC2)nc1
InChIInChI=1S/C21H25N3OS/c1-25-17-8-9-18(22-15-17)16-10-13-24(14-11-16)12-4-7-21-23-19-5-2-3-6-20(19)26-21/h2-3,5-6,8-9,15-16H,4,7,10-14H2,1H3
InChIKeyNNGCPQMNTNEUCA-UHFFFAOYSA-N
XLogP4.51
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(5-methoxy-2-pyridinyl)piperidin-1-yl]propyl]-1,3-benzothiazole?
The IUPAC name of 2-[3-[4-(5-methoxy-2-pyridinyl)piperidin-1-yl]propyl]-1,3-benzothiazole (CID 164937998) is 2-[3-[4-(5-methoxy-2-pyridinyl)piperidin-1-yl]propyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[3-[4-(5-methoxy-2-pyridinyl)piperidin-1-yl]propyl]-1,3-benzothiazole?
The canonical SMILES for 2-[3-[4-(5-methoxy-2-pyridinyl)piperidin-1-yl]propyl]-1,3-benzothiazole is COc1ccc(C2CCN(CCCc3nc4ccccc4s3)CC2)nc1.
What is the InChIKey of 2-[3-[4-(5-methoxy-2-pyridinyl)piperidin-1-yl]propyl]-1,3-benzothiazole?
The InChIKey is NNGCPQMNTNEUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3OS/c1-25-17-8-9-18(22-15-17)16-10-13-24(14-11-16)12-4-7-21-23-19-5-2-3-6-20(19)26-21/h2-3,5-6,8-9,15-16H,4,7,10-14H2,1H3.
What are the key properties of 2-[3-[4-(5-methoxy-2-pyridinyl)piperidin-1-yl]propyl]-1,3-benzothiazole?
2-[3-[4-(5-methoxy-2-pyridinyl)piperidin-1-yl]propyl]-1,3-benzothiazole has a molecular weight of 367.52 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(5-methoxy-2-pyridinyl)piperidin-1-yl]propyl]-1,3-benzothiazole is sourced from PubChem (CID 164937998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).