tert-butyl (2S)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate

C20H24FN3O3S — CID 58564078

IUPACtert-butyl (2S)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C20H24FN3O3S/c1-20(2,3)27-19(26)24-11-5-4-6-16(24)17(25)23-18-22-15(12-28-18)13-7-9-14(21)10-8-13/h7-10,12,16H,4-6,11H2,1-3H3,(H,22,23,25)/t16-/m0/s1
InChIKeyAMGZHHAAGBRSAO-INIZCTEOSA-N
MW405.50 g/mol
LogP4.68
Rot. Bonds3

About tert-butyl (2S)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate

tert-butyl (2S)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate (PubChem CID 58564078) has the molecular formula C20H24FN3O3S and a molecular weight of 405.50 g/mol. Its IUPAC name is tert-butyl (2S)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate
PubChem CID58564078
Molecular FormulaC20H24FN3O3S
Molecular Weight405.50 g/mol
Exact Mass405.15
IUPAC Nametert-butyl (2S)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C20H24FN3O3S/c1-20(2,3)27-19(26)24-11-5-4-6-16(24)17(25)23-18-22-15(12-28-18)13-7-9-14(21)10-8-13/h7-10,12,16H,4-6,11H2,1-3H3,(H,22,23,25)/t16-/m0/s1
InChIKeyAMGZHHAAGBRSAO-INIZCTEOSA-N
XLogP4.68
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl (2S)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate (CID 58564078) is tert-butyl (2S)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)Nc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of tert-butyl (2S)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is AMGZHHAAGBRSAO-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24FN3O3S/c1-20(2,3)27-19(26)24-11-5-4-6-16(24)17(25)23-18-22-15(12-28-18)13-7-9-14(21)10-8-13/h7-10,12,16H,4-6,11H2,1-3H3,(H,22,23,25)/t16-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate?
tert-butyl (2S)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 405.50 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 58564078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).