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

C15H17N3O6S3 — CID 71788127

IUPACmethyl 3-[[2-(ethoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate
SMILESCCOC(=O)Nc1nc2c(s1)CN(S(=O)(=O)c1ccsc1C(=O)OC)CC2
InChIInChI=1S/C15H17N3O6S3/c1-3-24-15(20)17-14-16-9-4-6-18(8-10(9)26-14)27(21,22)11-5-7-25-12(11)13(19)23-2/h5,7H,3-4,6,8H2,1-2H3,(H,16,17,20)
InChIKeyAIVWLZBNUOBDPJ-UHFFFAOYSA-N
MW431.52 g/mol
LogP2.31
Rot. Bonds5

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

methyl 3-[[2-(ethoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate (PubChem CID 71788127) has the molecular formula C15H17N3O6S3 and a molecular weight of 431.52 g/mol. Its IUPAC name is methyl 3-[[2-(ethoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-(ethoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate
PubChem CID71788127
Molecular FormulaC15H17N3O6S3
Molecular Weight431.52 g/mol
Exact Mass431.03
IUPAC Namemethyl 3-[[2-(ethoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate
SMILESCCOC(=O)Nc1nc2c(s1)CN(S(=O)(=O)c1ccsc1C(=O)OC)CC2
InChIInChI=1S/C15H17N3O6S3/c1-3-24-15(20)17-14-16-9-4-6-18(8-10(9)26-14)27(21,22)11-5-7-25-12(11)13(19)23-2/h5,7H,3-4,6,8H2,1-2H3,(H,16,17,20)
InChIKeyAIVWLZBNUOBDPJ-UHFFFAOYSA-N
XLogP2.31
TPSA114.90 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 3-[[2-(ethoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate with MolForge

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Related Compounds

methyl 2-[[2-(ethoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]benzoate
CID 90528236
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
ethyl N-[5-(2-fluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 71788122
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
ethyl N-[5-(4-chlorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528184
ethyl N-[5-(2-nitrophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528197
ethyl N-[5-(2,6-difluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528219
methyl N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90529167
methyl N-[5-(2-methoxy-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90529195
methyl N-[5-(5-chloro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90529206
methyl N-[5-(2,5-difluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90529220
N-[5-(2-methoxy-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525404

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(ethoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[2-(ethoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate (CID 71788127) is methyl 3-[[2-(ethoxycarbonylamino)-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-(ethoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[2-(ethoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate is CCOC(=O)Nc1nc2c(s1)CN(S(=O)(=O)c1ccsc1C(=O)OC)CC2.
What is the InChIKey of methyl 3-[[2-(ethoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate?
The InChIKey is AIVWLZBNUOBDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O6S3/c1-3-24-15(20)17-14-16-9-4-6-18(8-10(9)26-14)27(21,22)11-5-7-25-12(11)13(19)23-2/h5,7H,3-4,6,8H2,1-2H3,(H,16,17,20).
What are the key properties of methyl 3-[[2-(ethoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate?
methyl 3-[[2-(ethoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate has a molecular weight of 431.52 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(ethoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate is sourced from PubChem (CID 71788127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).