tert-butyl 4-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate

C19H23FN2O2S — CID 118427041

IUPACtert-butyl 4-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ncc(-c3ccc(F)cc3)s2)CC1
InChIInChI=1S/C19H23FN2O2S/c1-19(2,3)24-18(23)22-10-8-14(9-11-22)17-21-12-16(25-17)13-4-6-15(20)7-5-13/h4-7,12,14H,8-11H2,1-3H3
InChIKeyUVQNHKCVNYFKNT-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.06
Rot. Bonds2

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

tert-butyl 4-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate (PubChem CID 118427041) has the molecular formula C19H23FN2O2S and a molecular weight of 362.47 g/mol. Its IUPAC name is tert-butyl 4-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
PubChem CID118427041
Molecular FormulaC19H23FN2O2S
Molecular Weight362.47 g/mol
Exact Mass362.15
IUPAC Nametert-butyl 4-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ncc(-c3ccc(F)cc3)s2)CC1
InChIInChI=1S/C19H23FN2O2S/c1-19(2,3)24-18(23)22-10-8-14(9-11-22)17-21-12-16(25-17)13-4-6-15(20)7-5-13/h4-7,12,14H,8-11H2,1-3H3
InChIKeyUVQNHKCVNYFKNT-UHFFFAOYSA-N
XLogP5.06
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 4-[[1,3-thiazol-5-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carboxylate
CID 56669187
US20240246937, Example 425
CID 166103242
US20240246937, Example 426
CID 166103569
1-[4-[(2-Benzyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 169452748
({1-[2-(2-Fluorophenyl)ethyl]-3-piperidinyl}methyl)methyl[(2-methyl-1,3-thiazol-5-yl)methyl]amine
CID 45195754
N,N-dimethyl-1-[(5-phenyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
CID 132291516
2-[(2-Fluorophenyl)methyl]-5-piperidin-4-yl-1,3-thiazole
CID 18187490
2-[(3-Fluorophenyl)methyl]-5-piperidin-4-yl-1,3-thiazole
CID 18187499
2-[(4-Fluorophenyl)methyl]-5-piperidin-4-yl-1,3-thiazole
CID 18187683
Tert-butyl 4-[[5-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl-methylamino]piperidine-1-carboxylate
CID 20829980
5-(3-Fluorophenyl)-2-(2-methylpropyl)-1,3-thiazole
CID 57543409
5-(4-Fluorophenyl)-2-propan-2-yl-1,3-thiazole
CID 57814320

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate (CID 118427041) is tert-butyl 4-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2ncc(-c3ccc(F)cc3)s2)CC1.
What is the InChIKey of tert-butyl 4-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate?
The InChIKey is UVQNHKCVNYFKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2S/c1-19(2,3)24-18(23)22-10-8-14(9-11-22)17-21-12-16(25-17)13-4-6-15(20)7-5-13/h4-7,12,14H,8-11H2,1-3H3.
What are the key properties of tert-butyl 4-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate?
tert-butyl 4-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate has a molecular weight of 362.47 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 118427041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).