4-hydroxy-N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide

C17H15N3O3S — CID 54717841

IUPAC4-hydroxy-N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
SMILESCc1cc(NC(=O)c2c(O)c3cccc4c3n(c2=O)CCC4)sn1
InChIInChI=1S/C17H15N3O3S/c1-9-8-12(24-19-9)18-16(22)13-15(21)11-6-2-4-10-5-3-7-20(14(10)11)17(13)23/h2,4,6,8,21H,3,5,7H2,1H3,(H,18,22)
InChIKeyRXRFWTRUJPONLA-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.67
Rot. Bonds2

About 4-hydroxy-N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide

4-hydroxy-N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide (PubChem CID 54717841) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is 4-hydroxy-N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
PubChem CID54717841
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name4-hydroxy-N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
SMILESCc1cc(NC(=O)c2c(O)c3cccc4c3n(c2=O)CCC4)sn1
InChIInChI=1S/C17H15N3O3S/c1-9-8-12(24-19-9)18-16(22)13-15(21)11-6-2-4-10-5-3-7-20(14(10)11)17(13)23/h2,4,6,8,21H,3,5,7H2,1H3,(H,18,22)
InChIKeyRXRFWTRUJPONLA-UHFFFAOYSA-N
XLogP2.67
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-bromophenyl)-4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
CID 54688570
9-hydroxy-N-(6-methyl-2-pyridinyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
CID 54676958
4-hydroxy-2-oxo-N-pyrazin-2-yl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
CID 54717962
N-butan-2-yl-4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
CID 54676416
N-(4-chloro-1,3-benzothiazol-2-yl)-4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
CID 54697175
4-hydroxy-2-oxo-N-(4-phenyl-1,3-thiazol-2-yl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
CID 54691459
4-hydroxy-2-oxo-N'-phenyl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carbohydrazide
CID 54683849
N-benzyl-4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
CID 54678191
N-cycloheptyl-4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
CID 54695774
4-hydroxy-2-oxo-N-(4-oxo-2-propylquinazolin-3-yl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
CID 54676096
ethyl-[2-[(4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carbonyl)amino]ethyl]azanium
CID 54708192
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
CID 54689215

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
The IUPAC name of 4-hydroxy-N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide (CID 54717841) is 4-hydroxy-N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide is Cc1cc(NC(=O)c2c(O)c3cccc4c3n(c2=O)CCC4)sn1.
What is the InChIKey of 4-hydroxy-N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
The InChIKey is RXRFWTRUJPONLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-9-8-12(24-19-9)18-16(22)13-15(21)11-6-2-4-10-5-3-7-20(14(10)11)17(13)23/h2,4,6,8,21H,3,5,7H2,1H3,(H,18,22).
What are the key properties of 4-hydroxy-N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
4-hydroxy-N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide is sourced from PubChem (CID 54717841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).