methyl 3-[[2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate

C17H15N5O5S3 — CID 90527757

IUPACmethyl 3-[[2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)N1CCc2nc(NC(=O)c3cnccn3)sc2C1
InChIInChI=1S/C17H15N5O5S3/c1-27-16(24)14-13(3-7-28-14)30(25,26)22-6-2-10-12(9-22)29-17(20-10)21-15(23)11-8-18-4-5-19-11/h3-5,7-8H,2,6,9H2,1H3,(H,20,21,23)
InChIKeyWYIWBCXTSMZEOV-UHFFFAOYSA-N
MW465.54 g/mol
LogP1.78
Rot. Bonds5

About methyl 3-[[2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate

methyl 3-[[2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate (PubChem CID 90527757) has the molecular formula C17H15N5O5S3 and a molecular weight of 465.54 g/mol. Its IUPAC name is methyl 3-[[2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate
PubChem CID90527757
Molecular FormulaC17H15N5O5S3
Molecular Weight465.54 g/mol
Exact Mass465.02
IUPAC Namemethyl 3-[[2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)N1CCc2nc(NC(=O)c3cnccn3)sc2C1
InChIInChI=1S/C17H15N5O5S3/c1-27-16(24)14-13(3-7-28-14)30(25,26)22-6-2-10-12(9-22)29-17(20-10)21-15(23)11-8-18-4-5-19-11/h3-5,7-8H,2,6,9H2,1H3,(H,20,21,23)
InChIKeyWYIWBCXTSMZEOV-UHFFFAOYSA-N
XLogP1.78
TPSA131.45 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.54
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

methyl 3-[[2-(thiophene-3-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate
CID 90532336
methyl 3-[[2-(ethoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate
CID 71788127
N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 50832441
N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazine-2-carboxamide
CID 90527746
N-[5-[4-(trifluoromethyl)phenyl]sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527748
N-[5-(4-nitrophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527708
N-(5-benzylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazine-2-carboxamide
CID 90527723
methyl 3-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxylate
CID 3709247
N-[5-[2-[di(propan-2-yl)amino]-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527616
N-[5-(5-chloro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
CID 90528706
N-propan-2-yl-2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90527695
N-[5-[4-(trifluoromethoxy)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527541

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate (CID 90527757) is methyl 3-[[2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)N1CCc2nc(NC(=O)c3cnccn3)sc2C1.
What is the InChIKey of methyl 3-[[2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate?
The InChIKey is WYIWBCXTSMZEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O5S3/c1-27-16(24)14-13(3-7-28-14)30(25,26)22-6-2-10-12(9-22)29-17(20-10)21-15(23)11-8-18-4-5-19-11/h3-5,7-8H,2,6,9H2,1H3,(H,20,21,23).
What are the key properties of methyl 3-[[2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate?
methyl 3-[[2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate has a molecular weight of 465.54 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate is sourced from PubChem (CID 90527757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).