3-([1,2]thiazolo[4,5-c]pyridin-4-ylsulfonylamino)naphthalene-2-carboxylic acid

C17H11N3O4S2 — CID 91001172

IUPAC3-([1,2]thiazolo[4,5-c]pyridin-4-ylsulfonylamino)naphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2cc1NS(=O)(=O)c1nccc2sncc12
InChIInChI=1S/C17H11N3O4S2/c21-17(22)12-7-10-3-1-2-4-11(10)8-14(12)20-26(23,24)16-13-9-19-25-15(13)5-6-18-16/h1-9,20H,(H,21,22)
InChIKeyMCNPVJPMYIQKEW-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.34
Rot. Bonds4

About 3-([1,2]thiazolo[4,5-c]pyridin-4-ylsulfonylamino)naphthalene-2-carboxylic acid

3-([1,2]thiazolo[4,5-c]pyridin-4-ylsulfonylamino)naphthalene-2-carboxylic acid (PubChem CID 91001172) has the molecular formula C17H11N3O4S2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 3-([1,2]thiazolo[4,5-c]pyridin-4-ylsulfonylamino)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-([1,2]thiazolo[4,5-c]pyridin-4-ylsulfonylamino)naphthalene-2-carboxylic acid
PubChem CID91001172
Molecular FormulaC17H11N3O4S2
Molecular Weight385.43 g/mol
Exact Mass385.02
IUPAC Name3-([1,2]thiazolo[4,5-c]pyridin-4-ylsulfonylamino)naphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2cc1NS(=O)(=O)c1nccc2sncc12
InChIInChI=1S/C17H11N3O4S2/c21-17(22)12-7-10-3-1-2-4-11(10)8-14(12)20-26(23,24)16-13-9-19-25-15(13)5-6-18-16/h1-9,20H,(H,21,22)
InChIKeyMCNPVJPMYIQKEW-UHFFFAOYSA-N
XLogP3.34
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-iodo-2-([1,2]thiazolo[4,5-c]pyridin-4-ylsulfonylamino)benzoic acid
CID 91330754
N-[4,5-dibromo-2-(piperidine-1-carbonyl)phenyl]-[1,2]thiazolo[4,5-c]pyridine-4-sulfonamide
CID 91023694
N-[(2,6-dichlorophenyl)methyl]-4-iodo-2-([1,2]thiazolo[4,5-c]pyridin-4-ylsulfonylamino)benzamide
CID 91544023
N-[1-(4-bromophenyl)ethyl]-4-chloro-2-([1,2]thiazolo[4,5-c]pyridin-4-ylsulfonylamino)benzamide
CID 91059829
3-(4-chlorophenyl)-2-[[4-iodo-2-([1,2]thiazolo[4,5-c]pyridin-4-ylsulfonylamino)benzoyl]amino]-3-methylbutanoic acid
CID 75283296
3-[(2-fluorophenyl)sulfonylamino]naphthalene-2-carboxylic acid
CID 16776827
3-(3-bromo-4-fluorophenyl)-2-[[4-iodo-2-([1,2]thiazolo[4,5-c]pyridin-4-ylsulfonylamino)benzoyl]amino]propanoic acid
CID 75283320
3-[(3-fluorophenyl)sulfonylamino]naphthalene-2-carboxylic acid
CID 16778029
3-(tert-butylsulfonylamino)naphthalene-2-carboxylic acid
CID 63688592
3-(dimethylsulfamoylamino)naphthalene-2-carboxylic acid
CID 28788057
3-[(4-cyanophenyl)sulfonylamino]naphthalene-2-carboxylic acid
CID 45475653
3-([1,2]thiazolo[4,5-c]pyridin-3-ylsulfonylamino)thiophene-2-carboxylic acid
CID 123499855

Frequently Asked Questions

What is the IUPAC name of 3-([1,2]thiazolo[4,5-c]pyridin-4-ylsulfonylamino)naphthalene-2-carboxylic acid?
The IUPAC name of 3-([1,2]thiazolo[4,5-c]pyridin-4-ylsulfonylamino)naphthalene-2-carboxylic acid (CID 91001172) is 3-([1,2]thiazolo[4,5-c]pyridin-4-ylsulfonylamino)naphthalene-2-carboxylic acid.
What is the SMILES notation for 3-([1,2]thiazolo[4,5-c]pyridin-4-ylsulfonylamino)naphthalene-2-carboxylic acid?
The canonical SMILES for 3-([1,2]thiazolo[4,5-c]pyridin-4-ylsulfonylamino)naphthalene-2-carboxylic acid is O=C(O)c1cc2ccccc2cc1NS(=O)(=O)c1nccc2sncc12.
What is the InChIKey of 3-([1,2]thiazolo[4,5-c]pyridin-4-ylsulfonylamino)naphthalene-2-carboxylic acid?
The InChIKey is MCNPVJPMYIQKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O4S2/c21-17(22)12-7-10-3-1-2-4-11(10)8-14(12)20-26(23,24)16-13-9-19-25-15(13)5-6-18-16/h1-9,20H,(H,21,22).
What are the key properties of 3-([1,2]thiazolo[4,5-c]pyridin-4-ylsulfonylamino)naphthalene-2-carboxylic acid?
3-([1,2]thiazolo[4,5-c]pyridin-4-ylsulfonylamino)naphthalene-2-carboxylic acid has a molecular weight of 385.43 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-([1,2]thiazolo[4,5-c]pyridin-4-ylsulfonylamino)naphthalene-2-carboxylic acid is sourced from PubChem (CID 91001172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).