[2-(4-fluoropiperidin-4-yl)-1,3-thiazol-5-yl]methyl 2,2-dimethylpropanoate

C14H21FN2O2S — CID 175265106

IUPAC[2-(4-fluoropiperidin-4-yl)-1,3-thiazol-5-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCc1cnc(C2(F)CCNCC2)s1
InChIInChI=1S/C14H21FN2O2S/c1-13(2,3)12(18)19-9-10-8-17-11(20-10)14(15)4-6-16-7-5-14/h8,16H,4-7,9H2,1-3H3
InChIKeyDAGCROFQLAWFMS-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.78
Rot. Bonds3

About [2-(4-fluoropiperidin-4-yl)-1,3-thiazol-5-yl]methyl 2,2-dimethylpropanoate

[2-(4-fluoropiperidin-4-yl)-1,3-thiazol-5-yl]methyl 2,2-dimethylpropanoate (PubChem CID 175265106) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is [2-(4-fluoropiperidin-4-yl)-1,3-thiazol-5-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[2-(4-fluoropiperidin-4-yl)-1,3-thiazol-5-yl]methyl 2,2-dimethylpropanoate
PubChem CID175265106
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC Name[2-(4-fluoropiperidin-4-yl)-1,3-thiazol-5-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCc1cnc(C2(F)CCNCC2)s1
InChIInChI=1S/C14H21FN2O2S/c1-13(2,3)12(18)19-9-10-8-17-11(20-10)14(15)4-6-16-7-5-14/h8,16H,4-7,9H2,1-3H3
InChIKeyDAGCROFQLAWFMS-UHFFFAOYSA-N
XLogP2.78
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-(piperidin-4-yl)-1,3-thiazole-5-carboxylate hydrochloride
CID 126820113
Methyl 2-(piperidin-4-yl)-1,3-thiazole-5-carboxylate
CID 59679270
5-(Methoxymethyl)-2-piperidin-4-yl-1,3-thiazole
CID 58746977
1,3-thiazol-5-ylmethyl N-(2-piperidin-4-ylethyl)carbamate;hydrochloride
CID 67394505
1,3-thiazol-5-ylmethyl N-(2-piperidin-4-ylethyl)carbamate
CID 67394506
Ethyl 2-(piperidin-4-yl)-1,3-thiazole-5-carboxylate
CID 86701983
(2-Tert-butyl-1,3-thiazol-5-yl)methyl 2,2-dimethylpropanoate
CID 153457069
(2-Piperidin-4-yl-1,3-thiazol-5-yl)methyl 2,2-dimethylpropanoate
CID 174960696
Tert-butyl formate;[2-(4-fluoropiperidin-4-yl)-1,3-thiazol-5-yl]methanol
CID 175265108
2-Methyl-5-(piperidin-4-yloxymethyl)-1,3-thiazole
CID 63020482
2-Methyl-5-(piperidin-4-ylmethoxymethyl)-1,3-thiazole
CID 63020655
4-{[(1,3-Thiazol-5-yl)methoxy]methyl}piperidine
CID 71637011

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoropiperidin-4-yl)-1,3-thiazol-5-yl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [2-(4-fluoropiperidin-4-yl)-1,3-thiazol-5-yl]methyl 2,2-dimethylpropanoate (CID 175265106) is [2-(4-fluoropiperidin-4-yl)-1,3-thiazol-5-yl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [2-(4-fluoropiperidin-4-yl)-1,3-thiazol-5-yl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [2-(4-fluoropiperidin-4-yl)-1,3-thiazol-5-yl]methyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCc1cnc(C2(F)CCNCC2)s1.
What is the InChIKey of [2-(4-fluoropiperidin-4-yl)-1,3-thiazol-5-yl]methyl 2,2-dimethylpropanoate?
The InChIKey is DAGCROFQLAWFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-13(2,3)12(18)19-9-10-8-17-11(20-10)14(15)4-6-16-7-5-14/h8,16H,4-7,9H2,1-3H3.
What are the key properties of [2-(4-fluoropiperidin-4-yl)-1,3-thiazol-5-yl]methyl 2,2-dimethylpropanoate?
[2-(4-fluoropiperidin-4-yl)-1,3-thiazol-5-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 300.40 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoropiperidin-4-yl)-1,3-thiazol-5-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 175265106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).