tert-butyl N-[[2-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)thiophen-3-yl]methyl]carbamate

C17H20N4O2S2 — CID 58873990

IUPACtert-butyl N-[[2-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)thiophen-3-yl]methyl]carbamate
SMILESCSc1nc(-c2sccc2CNC(=O)OC(C)(C)C)cn2ccnc12
InChIInChI=1S/C17H20N4O2S2/c1-17(2,3)23-16(22)19-9-11-5-8-25-13(11)12-10-21-7-6-18-14(21)15(20-12)24-4/h5-8,10H,9H2,1-4H3,(H,19,22)
InChIKeyIDNOFGQKHBYSCN-UHFFFAOYSA-N
MW376.51 g/mol
LogP4.20
Rot. Bonds4

About tert-butyl N-[[2-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)thiophen-3-yl]methyl]carbamate

tert-butyl N-[[2-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)thiophen-3-yl]methyl]carbamate (PubChem CID 58873990) has the molecular formula C17H20N4O2S2 and a molecular weight of 376.51 g/mol. Its IUPAC name is tert-butyl N-[[2-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)thiophen-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)thiophen-3-yl]methyl]carbamate
PubChem CID58873990
Molecular FormulaC17H20N4O2S2
Molecular Weight376.51 g/mol
Exact Mass376.10
IUPAC Nametert-butyl N-[[2-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)thiophen-3-yl]methyl]carbamate
SMILESCSc1nc(-c2sccc2CNC(=O)OC(C)(C)C)cn2ccnc12
InChIInChI=1S/C17H20N4O2S2/c1-17(2,3)23-16(22)19-9-11-5-8-25-13(11)12-10-21-7-6-18-14(21)15(20-12)24-4/h5-8,10H,9H2,1-4H3,(H,19,22)
InChIKeyIDNOFGQKHBYSCN-UHFFFAOYSA-N
XLogP4.20
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl N-[(2-methylsulfanylpyrimidin-4-yl)methyl]carbamate
CID 91759510
tert-butyl N-[(6-methylsulfanyl-3-pyridinyl)methyl]carbamate
CID 102546552
tert-butyl N-[[4-[(1,3-thiazol-2-ylmethylamino)methyl]phenyl]methyl]carbamate
CID 107244277
tert-butyl N-[3-(1,3-thiazol-2-yl)prop-2-enyl]carbamate
CID 169466870
tert-butyl N-[[2-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrimidin-7-yl]methyl]carbamate
CID 122483314
tert-butyl N-[(2-ethyl-3-pyridinyl)methyl]carbamate
CID 118168082
ethyl 2-[2-[[8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetate
CID 158220314
[4-(3-bromo-8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl] acetate;[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)butyl] acetate
CID 157363014
tert-butyl N-[[3-(7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-2,3-dihydrofuran-4-yl]methyl]carbamate
CID 143115549
3-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)propan-1-ol;3-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)propyl 2,2-dimethylpropanoate
CID 160967599
tert-butyl N-[(6-formylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate
CID 155167684
tert-butyl N-([1,2,4]triazolo[4,3-a]pyridin-7-ylmethyl)carbamate
CID 119020406

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)thiophen-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)thiophen-3-yl]methyl]carbamate (CID 58873990) is tert-butyl N-[[2-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)thiophen-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)thiophen-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)thiophen-3-yl]methyl]carbamate is CSc1nc(-c2sccc2CNC(=O)OC(C)(C)C)cn2ccnc12.
What is the InChIKey of tert-butyl N-[[2-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)thiophen-3-yl]methyl]carbamate?
The InChIKey is IDNOFGQKHBYSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S2/c1-17(2,3)23-16(22)19-9-11-5-8-25-13(11)12-10-21-7-6-18-14(21)15(20-12)24-4/h5-8,10H,9H2,1-4H3,(H,19,22).
What are the key properties of tert-butyl N-[[2-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)thiophen-3-yl]methyl]carbamate?
tert-butyl N-[[2-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)thiophen-3-yl]methyl]carbamate has a molecular weight of 376.51 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)thiophen-3-yl]methyl]carbamate is sourced from PubChem (CID 58873990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).