[3-[6-[(5-phenyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-3-yl]methanol

C20H22N4OS — CID 132771016

IUPAC[3-[6-[(5-phenyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-3-yl]methanol
SMILESOCC1(c2cccc(Nc3ncc(-c4ccccc4)s3)n2)CCCNC1
InChIInChI=1S/C20H22N4OS/c25-14-20(10-5-11-21-13-20)17-8-4-9-18(23-17)24-19-22-12-16(26-19)15-6-2-1-3-7-15/h1-4,6-9,12,21,25H,5,10-11,13-14H2,(H,22,23,24)
InChIKeyYFTKPTBRWCFDMS-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.56
Rot. Bonds5

About [3-[6-[(5-phenyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-3-yl]methanol

[3-[6-[(5-phenyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-3-yl]methanol (PubChem CID 132771016) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is [3-[6-[(5-phenyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[6-[(5-phenyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-3-yl]methanol
PubChem CID132771016
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name[3-[6-[(5-phenyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-3-yl]methanol
SMILESOCC1(c2cccc(Nc3ncc(-c4ccccc4)s3)n2)CCCNC1
InChIInChI=1S/C20H22N4OS/c25-14-20(10-5-11-21-13-20)17-8-4-9-18(23-17)24-19-22-12-16(26-19)15-6-2-1-3-7-15/h1-4,6-9,12,21,25H,5,10-11,13-14H2,(H,22,23,24)
InChIKeyYFTKPTBRWCFDMS-UHFFFAOYSA-N
XLogP3.56
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[6-[(5-phenyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-3-yl]methanol?
The IUPAC name of [3-[6-[(5-phenyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-3-yl]methanol (CID 132771016) is [3-[6-[(5-phenyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-3-yl]methanol.
What is the SMILES notation for [3-[6-[(5-phenyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-3-yl]methanol?
The canonical SMILES for [3-[6-[(5-phenyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-3-yl]methanol is OCC1(c2cccc(Nc3ncc(-c4ccccc4)s3)n2)CCCNC1.
What is the InChIKey of [3-[6-[(5-phenyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-3-yl]methanol?
The InChIKey is YFTKPTBRWCFDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c25-14-20(10-5-11-21-13-20)17-8-4-9-18(23-17)24-19-22-12-16(26-19)15-6-2-1-3-7-15/h1-4,6-9,12,21,25H,5,10-11,13-14H2,(H,22,23,24).
What are the key properties of [3-[6-[(5-phenyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-3-yl]methanol?
[3-[6-[(5-phenyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-3-yl]methanol has a molecular weight of 366.49 g/mol, XLogP of 3.56, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-[(5-phenyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-3-yl]methanol is sourced from PubChem (CID 132771016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).