N-[5-[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide

C21H21BrN4O3S — CID 90525484

IUPACN-[5-[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2c(s1)CN(C(=O)C1CC(=O)N(c3cccc(Br)c3)C1)CC2)C1CC1
InChIInChI=1S/C21H21BrN4O3S/c22-14-2-1-3-15(9-14)26-10-13(8-18(26)27)20(29)25-7-6-16-17(11-25)30-21(23-16)24-19(28)12-4-5-12/h1-3,9,12-13H,4-8,10-11H2,(H,23,24,28)
InChIKeyAZKRWGLXVKUIOT-UHFFFAOYSA-N
MW489.40 g/mol
LogP3.19
Rot. Bonds4

About N-[5-[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 90525484) has the molecular formula C21H21BrN4O3S and a molecular weight of 489.40 g/mol. Its IUPAC name is N-[5-[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID90525484
Molecular FormulaC21H21BrN4O3S
Molecular Weight489.40 g/mol
Exact Mass488.05
IUPAC NameN-[5-[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2c(s1)CN(C(=O)C1CC(=O)N(c3cccc(Br)c3)C1)CC2)C1CC1
InChIInChI=1S/C21H21BrN4O3S/c22-14-2-1-3-15(9-14)26-10-13(8-18(26)27)20(29)25-7-6-16-17(11-25)30-21(23-16)24-19(28)12-4-5-12/h1-3,9,12-13H,4-8,10-11H2,(H,23,24,28)
InChIKeyAZKRWGLXVKUIOT-UHFFFAOYSA-N
XLogP3.19
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-[5-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525152
N-[5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 90526084
N-[5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 56765074
1-[5-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea
CID 90529413
1-(3-bromophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 42952988
N-[5-[3-(tetrazol-1-yl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
CID 90525440
1-(3-bromophenyl)-N-(5-cyano-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 90603521
N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 90530950
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46565001
N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 90533054
N-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531084
(3S)-1-(3-bromophenyl)-N-(5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 52636988

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide (CID 90525484) is N-[5-[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2c(s1)CN(C(=O)C1CC(=O)N(c3cccc(Br)c3)C1)CC2)C1CC1.
What is the InChIKey of N-[5-[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is AZKRWGLXVKUIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN4O3S/c22-14-2-1-3-15(9-14)26-10-13(8-18(26)27)20(29)25-7-6-16-17(11-25)30-21(23-16)24-19(28)12-4-5-12/h1-3,9,12-13H,4-8,10-11H2,(H,23,24,28).
What are the key properties of N-[5-[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 489.40 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 90525484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).