tert-butyl 2-(4-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxylate

C19H24N2O2S — CID 67357840

IUPACtert-butyl 2-(4-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1c1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H24N2O2S/c1-19(2,3)23-18(22)21-12-8-7-11-16(21)17-20-15(13-24-17)14-9-5-4-6-10-14/h4-6,9-10,13,16H,7-8,11-12H2,1-3H3
InChIKeyHFHMZATXPZTGCB-UHFFFAOYSA-N
MW344.48 g/mol
LogP5.27
Rot. Bonds2

About tert-butyl 2-(4-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxylate

tert-butyl 2-(4-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxylate (PubChem CID 67357840) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is tert-butyl 2-(4-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(4-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxylate
PubChem CID67357840
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Nametert-butyl 2-(4-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1c1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H24N2O2S/c1-19(2,3)23-18(22)21-12-8-7-11-16(21)17-20-15(13-24-17)14-9-5-4-6-10-14/h4-6,9-10,13,16H,7-8,11-12H2,1-3H3
InChIKeyHFHMZATXPZTGCB-UHFFFAOYSA-N
XLogP5.27
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.48
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 67358584
tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 67224828
(2S)-N-(4-tert-butylphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 154636961
(2R)-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid
CID 141220899
tert-butyl 2-(6-phenylpyrimidin-4-yl)pyrrolidine-1-carboxylate
CID 118426415
tert-butyl 2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxylate
CID 69255350
tert-butyl 2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]piperidine-1-carboxylate
CID 67359398
tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate
CID 10999368
2-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylic acid
CID 67479701
tert-butyl (2S)-2-[4-(3-hydroxybenzoyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxylate
CID 156873975
tert-butyl (2R)-2-(2-acetamido-1,3-thiazol-4-yl)pyrrolidine-1-carboxylate;tert-butyl (2R)-2-(2-amino-1,3-thiazol-4-yl)pyrrolidine-1-carboxylate
CID 159351798
2-(4-phenyl-1,3-thiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 175374032

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(4-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxylate (CID 67357840) is tert-butyl 2-(4-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(4-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(4-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1c1nc(-c2ccccc2)cs1.
What is the InChIKey of tert-butyl 2-(4-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxylate?
The InChIKey is HFHMZATXPZTGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-19(2,3)23-18(22)21-12-8-7-11-16(21)17-20-15(13-24-17)14-9-5-4-6-10-14/h4-6,9-10,13,16H,7-8,11-12H2,1-3H3.
What are the key properties of tert-butyl 2-(4-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxylate?
tert-butyl 2-(4-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxylate has a molecular weight of 344.48 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(4-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 67357840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).