tert-butyl 4-(2-benzyl-1,3-thiazol-5-yl)piperidine-1-carboxylate

C20H26N2O2S — CID 18187483

IUPACtert-butyl 4-(2-benzyl-1,3-thiazol-5-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cnc(Cc3ccccc3)s2)CC1
InChIInChI=1S/C20H26N2O2S/c1-20(2,3)24-19(23)22-11-9-16(10-12-22)17-14-21-18(25-17)13-15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1-3H3
InChIKeyKBJCOKHEPYMZFK-UHFFFAOYSA-N
MW358.51 g/mol
LogP4.85
Rot. Bonds3

About tert-butyl 4-(2-benzyl-1,3-thiazol-5-yl)piperidine-1-carboxylate

tert-butyl 4-(2-benzyl-1,3-thiazol-5-yl)piperidine-1-carboxylate (PubChem CID 18187483) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is tert-butyl 4-(2-benzyl-1,3-thiazol-5-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-benzyl-1,3-thiazol-5-yl)piperidine-1-carboxylate
PubChem CID18187483
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Nametert-butyl 4-(2-benzyl-1,3-thiazol-5-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cnc(Cc3ccccc3)s2)CC1
InChIInChI=1S/C20H26N2O2S/c1-20(2,3)24-19(23)22-11-9-16(10-12-22)17-14-21-18(25-17)13-15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1-3H3
InChIKeyKBJCOKHEPYMZFK-UHFFFAOYSA-N
XLogP4.85
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(2-benzylphenyl)piperidine-1-carboxylate
CID 21193104
tert-butyl 4-(2-phenylethyl)piperidine-1-carboxylate
CID 58041388
tert-butyl 4-(2-benzyl-4-iodo-1H-imidazol-5-yl)piperidine-1-carboxylate
CID 139271771
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 4-[4-[(4-phenylmethoxyphenoxy)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 25027098
tert-butyl 4-(2-phenylmethoxyphenoxy)piperidine-1-carboxylate
CID 67313124
6-methyl-2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-5-phenylmethoxypyrimidine-4-carboxylic acid
CID 67156195
benzyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]sulfanylpiperidine-1-carboxylate
CID 129189016
tert-butyl 4-(N-benzylanilino)piperidine-1-carboxylate
CID 118798320
tert-butyl 4-(3-phenylpyrazin-2-yl)piperidine-1-carboxylate
CID 58547634
tert-butyl 4-aminopiperidine-1-carboxylate;2-phenylethanol
CID 142239984
tert-butyl 4-quinolin-3-ylpiperidine-1-carboxylate
CID 102136032

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-benzyl-1,3-thiazol-5-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-benzyl-1,3-thiazol-5-yl)piperidine-1-carboxylate (CID 18187483) is tert-butyl 4-(2-benzyl-1,3-thiazol-5-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-benzyl-1,3-thiazol-5-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-benzyl-1,3-thiazol-5-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2cnc(Cc3ccccc3)s2)CC1.
What is the InChIKey of tert-butyl 4-(2-benzyl-1,3-thiazol-5-yl)piperidine-1-carboxylate?
The InChIKey is KBJCOKHEPYMZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-20(2,3)24-19(23)22-11-9-16(10-12-22)17-14-21-18(25-17)13-15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1-3H3.
What are the key properties of tert-butyl 4-(2-benzyl-1,3-thiazol-5-yl)piperidine-1-carboxylate?
tert-butyl 4-(2-benzyl-1,3-thiazol-5-yl)piperidine-1-carboxylate has a molecular weight of 358.51 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-benzyl-1,3-thiazol-5-yl)piperidine-1-carboxylate is sourced from PubChem (CID 18187483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).