1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]piperidin-4-ol

C15H18ClN3OS — CID 168580176

IUPAC1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]piperidin-4-ol
SMILESOC1CCN(c2ccccc2NCc2cnc(Cl)s2)CC1
InChIInChI=1S/C15H18ClN3OS/c16-15-18-10-12(21-15)9-17-13-3-1-2-4-14(13)19-7-5-11(20)6-8-19/h1-4,10-11,17,20H,5-9H2
InChIKeyCXRGYFMDMJXDDA-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.37
Rot. Bonds4

About 1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]piperidin-4-ol

1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]piperidin-4-ol (PubChem CID 168580176) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is 1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]piperidin-4-ol
PubChem CID168580176
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC Name1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]piperidin-4-ol
SMILESOC1CCN(c2ccccc2NCc2cnc(Cl)s2)CC1
InChIInChI=1S/C15H18ClN3OS/c16-15-18-10-12(21-15)9-17-13-3-1-2-4-14(13)19-7-5-11(20)6-8-19/h1-4,10-11,17,20H,5-9H2
InChIKeyCXRGYFMDMJXDDA-UHFFFAOYSA-N
XLogP3.37
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]piperidin-4-ol?
The IUPAC name of 1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]piperidin-4-ol (CID 168580176) is 1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]piperidin-4-ol?
The canonical SMILES for 1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]piperidin-4-ol is OC1CCN(c2ccccc2NCc2cnc(Cl)s2)CC1.
What is the InChIKey of 1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]piperidin-4-ol?
The InChIKey is CXRGYFMDMJXDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS/c16-15-18-10-12(21-15)9-17-13-3-1-2-4-14(13)19-7-5-11(20)6-8-19/h1-4,10-11,17,20H,5-9H2.
What are the key properties of 1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]piperidin-4-ol?
1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]piperidin-4-ol has a molecular weight of 323.85 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]piperidin-4-ol is sourced from PubChem (CID 168580176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).