(2-ethyl-1,3-thiazol-4-yl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate

C19H20F2N2O3S — CID 35603787

IUPAC(2-ethyl-1,3-thiazol-4-yl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
SMILESCCc1nc(COC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)cs1
InChIInChI=1S/C19H20F2N2O3S/c1-2-17-22-14(11-27-17)10-26-19(25)12-5-7-23(8-6-12)18(24)15-4-3-13(20)9-16(15)21/h3-4,9,11-12H,2,5-8,10H2,1H3
InChIKeyTYQSBZRUBBKANW-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.58
Rot. Bonds5

About (2-ethyl-1,3-thiazol-4-yl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate

(2-ethyl-1,3-thiazol-4-yl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate (PubChem CID 35603787) has the molecular formula C19H20F2N2O3S and a molecular weight of 394.44 g/mol. Its IUPAC name is (2-ethyl-1,3-thiazol-4-yl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name(2-ethyl-1,3-thiazol-4-yl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
PubChem CID35603787
Molecular FormulaC19H20F2N2O3S
Molecular Weight394.44 g/mol
Exact Mass394.12
IUPAC Name(2-ethyl-1,3-thiazol-4-yl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
SMILESCCc1nc(COC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)cs1
InChIInChI=1S/C19H20F2N2O3S/c1-2-17-22-14(11-27-17)10-26-19(25)12-5-7-23(8-6-12)18(24)15-4-3-13(20)9-16(15)21/h3-4,9,11-12H,2,5-8,10H2,1H3
InChIKeyTYQSBZRUBBKANW-UHFFFAOYSA-N
XLogP3.58
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-ethyl-1,3-thiazol-4-yl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate with MolForge

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Related Compounds

butyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 91717484
(2-fluorophenyl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 43029960
[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 46622737
(5-chlorothiadiazol-4-yl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 31543415
butyl 1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperidine-4-carboxylate
CID 91737604
(4-nitrophenyl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 30321129
ethyl 1-(4-fluoro-2-methylbenzoyl)piperidine-4-carboxylate
CID 110209267
[2-(4-methylphenyl)-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 39605391
[4-(1-aminoethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 63595679
ethyl 1-(2-bromo-4-fluorobenzoyl)piperidine-4-carboxylate
CID 28834341
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
CID 30457041
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 30322796

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1,3-thiazol-4-yl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate?
The IUPAC name of (2-ethyl-1,3-thiazol-4-yl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate (CID 35603787) is (2-ethyl-1,3-thiazol-4-yl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for (2-ethyl-1,3-thiazol-4-yl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate?
The canonical SMILES for (2-ethyl-1,3-thiazol-4-yl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate is CCc1nc(COC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)cs1.
What is the InChIKey of (2-ethyl-1,3-thiazol-4-yl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate?
The InChIKey is TYQSBZRUBBKANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O3S/c1-2-17-22-14(11-27-17)10-26-19(25)12-5-7-23(8-6-12)18(24)15-4-3-13(20)9-16(15)21/h3-4,9,11-12H,2,5-8,10H2,1H3.
What are the key properties of (2-ethyl-1,3-thiazol-4-yl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate?
(2-ethyl-1,3-thiazol-4-yl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate has a molecular weight of 394.44 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1,3-thiazol-4-yl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 35603787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).