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

C18H23FN4O2S — CID 171660582

IUPACtert-butyl 4-[5-(5-fluoro-2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
SMILESCc1ncc(F)c(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3)s2)n1
InChIInChI=1S/C18H23FN4O2S/c1-11-20-9-13(19)15(22-11)14-10-21-16(26-14)12-5-7-23(8-6-12)17(24)25-18(2,3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyIDIKHXHHFOHGNO-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.16
Rot. Bonds2

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

tert-butyl 4-[5-(5-fluoro-2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate (PubChem CID 171660582) has the molecular formula C18H23FN4O2S and a molecular weight of 378.47 g/mol. Its IUPAC name is tert-butyl 4-[5-(5-fluoro-2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-(5-fluoro-2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
PubChem CID171660582
Molecular FormulaC18H23FN4O2S
Molecular Weight378.47 g/mol
Exact Mass378.15
IUPAC Nametert-butyl 4-[5-(5-fluoro-2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
SMILESCc1ncc(F)c(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3)s2)n1
InChIInChI=1S/C18H23FN4O2S/c1-11-20-9-13(19)15(22-11)14-10-21-16(26-14)12-5-7-23(8-6-12)17(24)25-18(2,3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyIDIKHXHHFOHGNO-UHFFFAOYSA-N
XLogP4.16
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 4-[4-(4-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 11340091
Tert-butyl 4-[4-(4-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 15603565
Ethyl 4-[5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 15603566
Ethyl 4-[4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 15603567
Ethyl 4-[4-(2-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 15603682
Tert-butyl 4-[4-(4-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
CID 15604244
Tert-butyl 4-[4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
CID 15604245
Tert-butyl 4-[4-(2-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
CID 15604359
Tert-butyl 4-[4-(4-fluorophenyl)-5-(2-methylsulfinylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 15604482
Tert-butyl 4-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 57733629
tert-butyl N-[[5-fluoro-2-[6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-2-methylsulfanylpyrimidin-4-yl]phenyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 59177721
Tert-butyl 4-[4-(4-fluoroanilino)-6-(1,3-thiazol-2-yl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 122624064

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(5-fluoro-2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-(5-fluoro-2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate (CID 171660582) is tert-butyl 4-[5-(5-fluoro-2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-(5-fluoro-2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-(5-fluoro-2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate is Cc1ncc(F)c(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3)s2)n1.
What is the InChIKey of tert-butyl 4-[5-(5-fluoro-2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate?
The InChIKey is IDIKHXHHFOHGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2S/c1-11-20-9-13(19)15(22-11)14-10-21-16(26-14)12-5-7-23(8-6-12)17(24)25-18(2,3)4/h9-10,12H,5-8H2,1-4H3.
What are the key properties of tert-butyl 4-[5-(5-fluoro-2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate?
tert-butyl 4-[5-(5-fluoro-2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate has a molecular weight of 378.47 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-(5-fluoro-2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 171660582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).