tert-butyl N-[[2-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1,3-thiazol-4-yl]methyl]carbamate

C16H20F3N5O4S2 — CID 167202540

IUPACtert-butyl N-[[2-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1,3-thiazol-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1csc(-c2cn3c(n2)CN(S(=O)(=O)C(F)(F)F)CC3)n1
InChIInChI=1S/C16H20F3N5O4S2/c1-15(2,3)28-14(25)20-6-10-9-29-13(21-10)11-7-23-4-5-24(8-12(23)22-11)30(26,27)16(17,18)19/h7,9H,4-6,8H2,1-3H3,(H,20,25)
InChIKeyVHZNNCYZAYYEKW-UHFFFAOYSA-N
MW467.50 g/mol
LogP2.70
Rot. Bonds4

About tert-butyl N-[[2-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1,3-thiazol-4-yl]methyl]carbamate

tert-butyl N-[[2-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1,3-thiazol-4-yl]methyl]carbamate (PubChem CID 167202540) has the molecular formula C16H20F3N5O4S2 and a molecular weight of 467.50 g/mol. Its IUPAC name is tert-butyl N-[[2-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1,3-thiazol-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1,3-thiazol-4-yl]methyl]carbamate
PubChem CID167202540
Molecular FormulaC16H20F3N5O4S2
Molecular Weight467.50 g/mol
Exact Mass467.09
IUPAC Nametert-butyl N-[[2-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1,3-thiazol-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1csc(-c2cn3c(n2)CN(S(=O)(=O)C(F)(F)F)CC3)n1
InChIInChI=1S/C16H20F3N5O4S2/c1-15(2,3)28-14(25)20-6-10-9-29-13(21-10)11-7-23-4-5-24(8-12(23)22-11)30(26,27)16(17,18)19/h7,9H,4-6,8H2,1-3H3,(H,20,25)
InChIKeyVHZNNCYZAYYEKW-UHFFFAOYSA-N
XLogP2.70
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155823600
N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid
CID 155830835
N-[2-[7-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155840924
tert-butyl N-[[3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]carbamate
CID 114704848
tert-butyl N-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]methyl]carbamate
CID 114704896

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1,3-thiazol-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1,3-thiazol-4-yl]methyl]carbamate (CID 167202540) is tert-butyl N-[[2-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1,3-thiazol-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1,3-thiazol-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1,3-thiazol-4-yl]methyl]carbamate is CC(C)(C)OC(=O)NCc1csc(-c2cn3c(n2)CN(S(=O)(=O)C(F)(F)F)CC3)n1.
What is the InChIKey of tert-butyl N-[[2-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1,3-thiazol-4-yl]methyl]carbamate?
The InChIKey is VHZNNCYZAYYEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O4S2/c1-15(2,3)28-14(25)20-6-10-9-29-13(21-10)11-7-23-4-5-24(8-12(23)22-11)30(26,27)16(17,18)19/h7,9H,4-6,8H2,1-3H3,(H,20,25).
What are the key properties of tert-butyl N-[[2-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1,3-thiazol-4-yl]methyl]carbamate?
tert-butyl N-[[2-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1,3-thiazol-4-yl]methyl]carbamate has a molecular weight of 467.50 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1,3-thiazol-4-yl]methyl]carbamate is sourced from PubChem (CID 167202540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).