tert-butyl formate;[2-(4-fluoropiperidin-4-yl)-1,3-thiazol-5-yl]methanol

C14H23FN2O3S — CID 175265108

IUPACtert-butyl formate;[2-(4-fluoropiperidin-4-yl)-1,3-thiazol-5-yl]methanol
SMILESCC(C)(C)OC=O.OCc1cnc(C2(F)CCNCC2)s1
InChIInChI=1S/C9H13FN2OS.C5H10O2/c10-9(1-3-11-4-2-9)8-12-5-7(6-13)14-8;1-5(2,3)7-4-6/h5,11,13H,1-4,6H2;4H,1-3H3
InChIKeyLWSOLUAMEFGNCB-UHFFFAOYSA-N
MW318.41 g/mol
LogP2.14
Rot. Bonds3

About tert-butyl formate;[2-(4-fluoropiperidin-4-yl)-1,3-thiazol-5-yl]methanol

tert-butyl formate;[2-(4-fluoropiperidin-4-yl)-1,3-thiazol-5-yl]methanol (PubChem CID 175265108) has the molecular formula C14H23FN2O3S and a molecular weight of 318.41 g/mol. Its IUPAC name is tert-butyl formate;[2-(4-fluoropiperidin-4-yl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Nametert-butyl formate;[2-(4-fluoropiperidin-4-yl)-1,3-thiazol-5-yl]methanol
PubChem CID175265108
Molecular FormulaC14H23FN2O3S
Molecular Weight318.41 g/mol
Exact Mass318.14
IUPAC Nametert-butyl formate;[2-(4-fluoropiperidin-4-yl)-1,3-thiazol-5-yl]methanol
SMILESCC(C)(C)OC=O.OCc1cnc(C2(F)CCNCC2)s1
InChIInChI=1S/C9H13FN2OS.C5H10O2/c10-9(1-3-11-4-2-9)8-12-5-7(6-13)14-8;1-5(2,3)7-4-6/h5,11,13H,1-4,6H2;4H,1-3H3
InChIKeyLWSOLUAMEFGNCB-UHFFFAOYSA-N
XLogP2.14
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-Fluoro-4-(5-hydroxymethyl-thiazol-2-yl)-piperidine-1-carboxylic acid tert-butyl ester
CID 57986840
4-Fluoro-4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
CID 154126466
[2-(4-Fluoropiperidin-4-yl)-1,3-thiazol-5-yl]methyl 2,2-dimethylpropanoate
CID 175265106
[2-(4-Fluoropiperidin-4-yl)-1,3-thiazol-5-yl]methanol
CID 175265109
4-(2-Ethoxy-1,3-thiazol-5-yl)piperidin-4-ol
CID 69534705
Tert-butyl 4-(5-(hydroxymethyl)thiazol-2-yl)piperidine-1-carboxylate
CID 134349499
Tert-butyl formate;5-(chloromethyl)-2-(4-fluoropiperidin-4-yl)-1,3-thiazole
CID 159823509
Tert-butyl formate;(2-piperidin-4-yl-1,3-thiazol-5-yl)methanol
CID 174960697
Tert-butyl formate;(2-piperidin-4-yl-1,3-thiazol-5-yl)methanamine
CID 174961308
(2-Piperidin-4-yl-1,3-thiazol-5-yl)methanol
CID 115089880
1-(2-Piperidin-4-yl-1,3-thiazol-5-yl)ethanol
CID 115089882
[2-(Piperidin-4-ylmethyl)-1,3-thiazol-5-yl]methanol
CID 115090170

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;[2-(4-fluoropiperidin-4-yl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of tert-butyl formate;[2-(4-fluoropiperidin-4-yl)-1,3-thiazol-5-yl]methanol (CID 175265108) is tert-butyl formate;[2-(4-fluoropiperidin-4-yl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for tert-butyl formate;[2-(4-fluoropiperidin-4-yl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for tert-butyl formate;[2-(4-fluoropiperidin-4-yl)-1,3-thiazol-5-yl]methanol is CC(C)(C)OC=O.OCc1cnc(C2(F)CCNCC2)s1.
What is the InChIKey of tert-butyl formate;[2-(4-fluoropiperidin-4-yl)-1,3-thiazol-5-yl]methanol?
The InChIKey is LWSOLUAMEFGNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2OS.C5H10O2/c10-9(1-3-11-4-2-9)8-12-5-7(6-13)14-8;1-5(2,3)7-4-6/h5,11,13H,1-4,6H2;4H,1-3H3.
What are the key properties of tert-butyl formate;[2-(4-fluoropiperidin-4-yl)-1,3-thiazol-5-yl]methanol?
tert-butyl formate;[2-(4-fluoropiperidin-4-yl)-1,3-thiazol-5-yl]methanol has a molecular weight of 318.41 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;[2-(4-fluoropiperidin-4-yl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 175265108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).