ethyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolo[2,3-d][1,3]thiazole-5-carboxylate

C16H23N3O4S — CID 170432275

IUPACethyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolo[2,3-d][1,3]thiazole-5-carboxylate
SMILESCCOC(=O)c1cc2scnc2n1C(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C16H23N3O4S/c1-6-22-14(20)11-7-12-13(18-9-24-12)19(11)10(2)8-17-15(21)23-16(3,4)5/h7,9-10H,6,8H2,1-5H3,(H,17,21)
InChIKeySBXYCECMXISTCG-UHFFFAOYSA-N
MW353.44 g/mol
LogP3.36
Rot. Bonds5

About ethyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolo[2,3-d][1,3]thiazole-5-carboxylate

ethyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolo[2,3-d][1,3]thiazole-5-carboxylate (PubChem CID 170432275) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is ethyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolo[2,3-d][1,3]thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolo[2,3-d][1,3]thiazole-5-carboxylate
PubChem CID170432275
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC Nameethyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolo[2,3-d][1,3]thiazole-5-carboxylate
SMILESCCOC(=O)c1cc2scnc2n1C(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C16H23N3O4S/c1-6-22-14(20)11-7-12-13(18-9-24-12)19(11)10(2)8-17-15(21)23-16(3,4)5/h7,9-10H,6,8H2,1-5H3,(H,17,21)
InChIKeySBXYCECMXISTCG-UHFFFAOYSA-N
XLogP3.36
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolo[2,3-d][1,3]thiazole-5-carboxylate with MolForge

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Related Compounds

ethyl 6-chloro-5-ethoxy-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolo[2,3-b]pyridine-2-carboxylate
CID 87797333
ethyl 5-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate
CID 69416886
ethyl 7-chloro-5-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate
CID 69415607
ethyl 7-fluoro-6-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate
CID 69415422
ethyl 7-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate
CID 69415715
ethyl 6-fluoro-7-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate
CID 69415486
diethyl 7-fluoro-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2,6-dicarboxylate
CID 175599773
ethyl 1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]-7,8-dihydro-6H-cyclopenta[g]indole-2-carboxylate
CID 68888919
methyl 3-bromo-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrazole-5-carboxylate
CID 170120050
diethyl 3-chloro-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolo[2,3-b]pyridine-2,6-dicarboxylate
CID 130357548
diethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazole-3,5-dicarboxylate
CID 67968131
tert-butyl N-[3-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]butyl]carbamate
CID 107253949

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolo[2,3-d][1,3]thiazole-5-carboxylate?
The IUPAC name of ethyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolo[2,3-d][1,3]thiazole-5-carboxylate (CID 170432275) is ethyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolo[2,3-d][1,3]thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolo[2,3-d][1,3]thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolo[2,3-d][1,3]thiazole-5-carboxylate is CCOC(=O)c1cc2scnc2n1C(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of ethyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolo[2,3-d][1,3]thiazole-5-carboxylate?
The InChIKey is SBXYCECMXISTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-6-22-14(20)11-7-12-13(18-9-24-12)19(11)10(2)8-17-15(21)23-16(3,4)5/h7,9-10H,6,8H2,1-5H3,(H,17,21).
What are the key properties of ethyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolo[2,3-d][1,3]thiazole-5-carboxylate?
ethyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolo[2,3-d][1,3]thiazole-5-carboxylate has a molecular weight of 353.44 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolo[2,3-d][1,3]thiazole-5-carboxylate is sourced from PubChem (CID 170432275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).