2-(Piperidin-4-ylamino)-2-(1,3-thiazol-2-yl)ethanol

C10H17N3OS — CID 68381711

IUPAC2-(piperidin-4-ylamino)-2-(1,3-thiazol-2-yl)ethanol
SMILESC1CNCCC1NC(CO)C2=NC=CS2
InChIInChI=1S/C10H17N3OS/c14-7-9(10-12-5-6-15-10)13-8-1-3-11-4-2-8/h5-6,8-9,11,13-14H,1-4,7H2
InChIKeyDBDBCHOLHLJSRJ-UHFFFAOYSA-N
MW227.33 g/mol
LogP-0.20
Rot. Bonds4

About 2-(Piperidin-4-ylamino)-2-(1,3-thiazol-2-yl)ethanol

2-(Piperidin-4-ylamino)-2-(1,3-thiazol-2-yl)ethanol (PubChem CID 68381711) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-(piperidin-4-ylamino)-2-(1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name2-(Piperidin-4-ylamino)-2-(1,3-thiazol-2-yl)ethanol
PubChem CID68381711
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name2-(piperidin-4-ylamino)-2-(1,3-thiazol-2-yl)ethanol
SMILESC1CNCCC1NC(CO)C2=NC=CS2
InChIInChI=1S/C10H17N3OS/c14-7-9(10-12-5-6-15-10)13-8-1-3-11-4-2-8/h5-6,8-9,11,13-14H,1-4,7H2
InChIKeyDBDBCHOLHLJSRJ-UHFFFAOYSA-N
XLogP-0.20
TPSA85.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity188

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-Thiazol-2-yl)piperidine
CID 3625593
(1S,2S)-1-Amino-1-(1,3-thiazol-2-YL)propan-2-OL
CID 445279
(3R)-3-amino-3-(1,3-thiazol-2-yl)propan-1-ol dihydrochloride
CID 165665242
(3S)-3-amino-3-(1,3-thiazol-2-yl)propan-1-ol dihydrochloride
CID 165980549
3-[[1-(1,3-Thiazol-2-yl)cyclopentyl]amino]propan-1-ol
CID 71859868
3-[2-(1,3-Thiazol-2-yl)propan-2-ylamino]propan-1-ol
CID 71986832
(3S,4S)-4-piperidin-1-yl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol
CID 74245068
1,1,1-Trifluoro-3-[1-(1,3-thiazol-2-yl)propylamino]propan-2-ol
CID 64480579
2-(1,3-Thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)propan-1-ol
CID 64990927
(Piperidin-4-yl)(1,3-thiazol-2-yl)methanol
CID 83686260
(3S)-3-Amino-3-(1,3-thiazol-2-YL)propan-1-OL
CID 92670040
2-(1,3-Thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 104078115

Frequently Asked Questions

What is the IUPAC name of 2-(Piperidin-4-ylamino)-2-(1,3-thiazol-2-yl)ethanol?
The IUPAC name of 2-(Piperidin-4-ylamino)-2-(1,3-thiazol-2-yl)ethanol (CID 68381711) is 2-(piperidin-4-ylamino)-2-(1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 2-(Piperidin-4-ylamino)-2-(1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 2-(Piperidin-4-ylamino)-2-(1,3-thiazol-2-yl)ethanol is C1CNCCC1NC(CO)C2=NC=CS2.
What is the InChIKey of 2-(Piperidin-4-ylamino)-2-(1,3-thiazol-2-yl)ethanol?
The InChIKey is DBDBCHOLHLJSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c14-7-9(10-12-5-6-15-10)13-8-1-3-11-4-2-8/h5-6,8-9,11,13-14H,1-4,7H2.
What are the key properties of 2-(Piperidin-4-ylamino)-2-(1,3-thiazol-2-yl)ethanol?
2-(Piperidin-4-ylamino)-2-(1,3-thiazol-2-yl)ethanol has a molecular weight of 227.33 g/mol, XLogP of -0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(Piperidin-4-ylamino)-2-(1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 68381711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).