1-[1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanol

C14H25N3OS — CID 106837645

IUPAC1-[1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanol
SMILESCCCNc1ncc(CN2CCC(C(C)O)CC2)s1
InChIInChI=1S/C14H25N3OS/c1-3-6-15-14-16-9-13(19-14)10-17-7-4-12(5-8-17)11(2)18/h9,11-12,18H,3-8,10H2,1-2H3,(H,15,16)
InChIKeyXZUSIXGMDFSPBG-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.56
Rot. Bonds6

About 1-[1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanol

1-[1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanol (PubChem CID 106837645) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-[1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanol
PubChem CID106837645
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name1-[1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanol
SMILESCCCNc1ncc(CN2CCC(C(C)O)CC2)s1
InChIInChI=1S/C14H25N3OS/c1-3-6-15-14-16-9-13(19-14)10-17-7-4-12(5-8-17)11(2)18/h9,11-12,18H,3-8,10H2,1-2H3,(H,15,16)
InChIKeyXZUSIXGMDFSPBG-UHFFFAOYSA-N
XLogP2.56
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanol (CID 106837645) is 1-[1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanol is CCCNc1ncc(CN2CCC(C(C)O)CC2)s1.
What is the InChIKey of 1-[1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanol?
The InChIKey is XZUSIXGMDFSPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-3-6-15-14-16-9-13(19-14)10-17-7-4-12(5-8-17)11(2)18/h9,11-12,18H,3-8,10H2,1-2H3,(H,15,16).
What are the key properties of 1-[1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanol?
1-[1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanol has a molecular weight of 283.44 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 106837645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).