[1-[5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]-2-pyridinyl]piperidin-4-yl]methanol

C17H24N4OS — CID 47625933

IUPAC[1-[5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]-2-pyridinyl]piperidin-4-yl]methanol
SMILESCc1nc(CNCc2ccc(N3CCC(CO)CC3)nc2)cs1
InChIInChI=1S/C17H24N4OS/c1-13-20-16(12-23-13)10-18-8-15-2-3-17(19-9-15)21-6-4-14(11-22)5-7-21/h2-3,9,12,14,18,22H,4-8,10-11H2,1H3
InChIKeyREYUSHOXTSDPKU-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.35
Rot. Bonds6

About [1-[5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]-2-pyridinyl]piperidin-4-yl]methanol

[1-[5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]-2-pyridinyl]piperidin-4-yl]methanol (PubChem CID 47625933) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is [1-[5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]-2-pyridinyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]-2-pyridinyl]piperidin-4-yl]methanol
PubChem CID47625933
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name[1-[5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]-2-pyridinyl]piperidin-4-yl]methanol
SMILESCc1nc(CNCc2ccc(N3CCC(CO)CC3)nc2)cs1
InChIInChI=1S/C17H24N4OS/c1-13-20-16(12-23-13)10-18-8-15-2-3-17(19-9-15)21-6-4-14(11-22)5-7-21/h2-3,9,12,14,18,22H,4-8,10-11H2,1H3
InChIKeyREYUSHOXTSDPKU-UHFFFAOYSA-N
XLogP2.35
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]-2-pyridinyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]-2-pyridinyl]piperidin-4-yl]methanol (CID 47625933) is [1-[5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]-2-pyridinyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]-2-pyridinyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]-2-pyridinyl]piperidin-4-yl]methanol is Cc1nc(CNCc2ccc(N3CCC(CO)CC3)nc2)cs1.
What is the InChIKey of [1-[5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]-2-pyridinyl]piperidin-4-yl]methanol?
The InChIKey is REYUSHOXTSDPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-13-20-16(12-23-13)10-18-8-15-2-3-17(19-9-15)21-6-4-14(11-22)5-7-21/h2-3,9,12,14,18,22H,4-8,10-11H2,1H3.
What are the key properties of [1-[5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]-2-pyridinyl]piperidin-4-yl]methanol?
[1-[5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]-2-pyridinyl]piperidin-4-yl]methanol has a molecular weight of 332.47 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]-2-pyridinyl]piperidin-4-yl]methanol is sourced from PubChem (CID 47625933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).