[2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol

C13H23N3OS — CID 72882502

IUPAC[2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol
SMILESCC(C1CCN(c2nc(CO)cs2)CC1)N(C)C
InChIInChI=1S/C13H23N3OS/c1-10(15(2)3)11-4-6-16(7-5-11)13-14-12(8-17)9-18-13/h9-11,17H,4-8H2,1-3H3
InChIKeyIKDQIGNCLWWNIP-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.80
Rot. Bonds4

About [2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol

[2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol (PubChem CID 72882502) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is [2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol
PubChem CID72882502
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name[2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol
SMILESCC(C1CCN(c2nc(CO)cs2)CC1)N(C)C
InChIInChI=1S/C13H23N3OS/c1-10(15(2)3)11-4-6-16(7-5-11)13-14-12(8-17)9-18-13/h9-11,17H,4-8H2,1-3H3
InChIKeyIKDQIGNCLWWNIP-UHFFFAOYSA-N
XLogP1.80
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol (CID 72882502) is [2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol is CC(C1CCN(c2nc(CO)cs2)CC1)N(C)C.
What is the InChIKey of [2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol?
The InChIKey is IKDQIGNCLWWNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-10(15(2)3)11-4-6-16(7-5-11)13-14-12(8-17)9-18-13/h9-11,17H,4-8H2,1-3H3.
What are the key properties of [2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol?
[2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol has a molecular weight of 269.41 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 72882502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).