[1-[3-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol

C20H23N5OS — CID 58547452

IUPAC[1-[3-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2nccnc2C2CN(c3nc4ccccc4s3)C2)CC1
InChIInChI=1S/C20H23N5OS/c26-13-14-5-9-24(10-6-14)19-18(21-7-8-22-19)15-11-25(12-15)20-23-16-3-1-2-4-17(16)27-20/h1-4,7-8,14-15,26H,5-6,9-13H2
InChIKeyYBJUUPMMHUTMDF-UHFFFAOYSA-N
MW381.51 g/mol
LogP2.90
Rot. Bonds4

About [1-[3-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol

[1-[3-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol (PubChem CID 58547452) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is [1-[3-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[3-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol
PubChem CID58547452
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name[1-[3-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2nccnc2C2CN(c3nc4ccccc4s3)C2)CC1
InChIInChI=1S/C20H23N5OS/c26-13-14-5-9-24(10-6-14)19-18(21-7-8-22-19)15-11-25(12-15)20-23-16-3-1-2-4-17(16)27-20/h1-4,7-8,14-15,26H,5-6,9-13H2
InChIKeyYBJUUPMMHUTMDF-UHFFFAOYSA-N
XLogP2.90
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-[3-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[3-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[3-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol (CID 58547452) is [1-[3-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[3-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[3-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol is OCC1CCN(c2nccnc2C2CN(c3nc4ccccc4s3)C2)CC1.
What is the InChIKey of [1-[3-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
The InChIKey is YBJUUPMMHUTMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c26-13-14-5-9-24(10-6-14)19-18(21-7-8-22-19)15-11-25(12-15)20-23-16-3-1-2-4-17(16)27-20/h1-4,7-8,14-15,26H,5-6,9-13H2.
What are the key properties of [1-[3-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
[1-[3-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol has a molecular weight of 381.51 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 58547452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).