methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexyl]-[1,3]thiazolo[5,4-b]pyridine-5-carboxylate

C19H24N2O4S — CID 170948217

IUPACmethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexyl]-[1,3]thiazolo[5,4-b]pyridine-5-carboxylate
SMILESCOC(=O)c1ccc2nc(C3CCC(C(=O)OC(C)(C)C)CC3)sc2n1
InChIInChI=1S/C19H24N2O4S/c1-19(2,3)25-17(22)12-7-5-11(6-8-12)15-20-13-9-10-14(18(23)24-4)21-16(13)26-15/h9-12H,5-8H2,1-4H3
InChIKeyMPMHTRAEMLQZGU-UHFFFAOYSA-N
MW376.48 g/mol
LogP4.09
Rot. Bonds3

About methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexyl]-[1,3]thiazolo[5,4-b]pyridine-5-carboxylate

methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexyl]-[1,3]thiazolo[5,4-b]pyridine-5-carboxylate (PubChem CID 170948217) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexyl]-[1,3]thiazolo[5,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexyl]-[1,3]thiazolo[5,4-b]pyridine-5-carboxylate
PubChem CID170948217
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Namemethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexyl]-[1,3]thiazolo[5,4-b]pyridine-5-carboxylate
SMILESCOC(=O)c1ccc2nc(C3CCC(C(=O)OC(C)(C)C)CC3)sc2n1
InChIInChI=1S/C19H24N2O4S/c1-19(2,3)25-17(22)12-7-5-11(6-8-12)15-20-13-9-10-14(18(23)24-4)21-16(13)26-15/h9-12H,5-8H2,1-4H3
InChIKeyMPMHTRAEMLQZGU-UHFFFAOYSA-N
XLogP4.09
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexyl]-[1,3]thiazolo[5,4-b]pyridine-5-carboxylate with MolForge

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Related Compounds

methyl 2-cyclopropyl-[1,3]thiazolo[4,5-b]pyridine-5-carboxylate
CID 118644349
methyl 4-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate
CID 102537570
tert-butyl cyclopropanecarboxylate
CID 157212632
methyl 4-chloro-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexyl]amino]-1,3-thiazole-5-carboxylate
CID 86814445
tert-butyl 1-(4-methoxycarbonylphenyl)piperidine-4-carboxylate
CID 146819041
methyl 5-bromo-3-[[4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexyl]carbamoylamino]thiophene-2-carboxylate
CID 71004352
tert-butyl 4-methoxycyclohexane-1-carboxylate
CID 59780016
tert-butyl 2-[4-[(4-methoxycarbonylcyclohexyl)carbamoyl]cyclohexyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-6-carboxylate
CID 19969900
tert-butyl 4-methylcyclohexane-1-carboxylate
CID 59152157
methyl 4-ethenyl-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexyl]amino]benzoate
CID 178071138
methyl 5-[4-(2-methylbutan-2-yloxycarbonyl)piperidin-1-yl]pyridine-2-carboxylate
CID 166113676
methyl 4-bromo-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexyl]amino]benzoate
CID 178071406

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexyl]-[1,3]thiazolo[5,4-b]pyridine-5-carboxylate?
The IUPAC name of methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexyl]-[1,3]thiazolo[5,4-b]pyridine-5-carboxylate (CID 170948217) is methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexyl]-[1,3]thiazolo[5,4-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexyl]-[1,3]thiazolo[5,4-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexyl]-[1,3]thiazolo[5,4-b]pyridine-5-carboxylate is COC(=O)c1ccc2nc(C3CCC(C(=O)OC(C)(C)C)CC3)sc2n1.
What is the InChIKey of methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexyl]-[1,3]thiazolo[5,4-b]pyridine-5-carboxylate?
The InChIKey is MPMHTRAEMLQZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-19(2,3)25-17(22)12-7-5-11(6-8-12)15-20-13-9-10-14(18(23)24-4)21-16(13)26-15/h9-12H,5-8H2,1-4H3.
What are the key properties of methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexyl]-[1,3]thiazolo[5,4-b]pyridine-5-carboxylate?
methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexyl]-[1,3]thiazolo[5,4-b]pyridine-5-carboxylate has a molecular weight of 376.48 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexyl]-[1,3]thiazolo[5,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 170948217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).