2-[[(1-methyl-2,3-dihydroindol-6-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid

C14H15N3O4S2 — CID 146128106

IUPAC2-[[(1-methyl-2,3-dihydroindol-6-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCN1CCc2ccc(S(=O)(=O)NCc3nc(C(=O)O)cs3)cc21
InChIInChI=1S/C14H15N3O4S2/c1-17-5-4-9-2-3-10(6-12(9)17)23(20,21)15-7-13-16-11(8-22-13)14(18)19/h2-3,6,8,15H,4-5,7H2,1H3,(H,18,19)
InChIKeyIWIWNIDYYHUVNR-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.31
Rot. Bonds5

About 2-[[(1-methyl-2,3-dihydroindol-6-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid

2-[[(1-methyl-2,3-dihydroindol-6-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 146128106) has the molecular formula C14H15N3O4S2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-[[(1-methyl-2,3-dihydroindol-6-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(1-methyl-2,3-dihydroindol-6-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID146128106
Molecular FormulaC14H15N3O4S2
Molecular Weight353.43 g/mol
Exact Mass353.05
IUPAC Name2-[[(1-methyl-2,3-dihydroindol-6-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCN1CCc2ccc(S(=O)(=O)NCc3nc(C(=O)O)cs3)cc21
InChIInChI=1S/C14H15N3O4S2/c1-17-5-4-9-2-3-10(6-12(9)17)23(20,21)15-7-13-16-11(8-22-13)14(18)19/h2-3,6,8,15H,4-5,7H2,1H3,(H,18,19)
InChIKeyIWIWNIDYYHUVNR-UHFFFAOYSA-N
XLogP1.31
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[(1-methyl-2,3-dihydroindol-6-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid with MolForge

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Related Compounds

2-[[(3-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 81264880
2-[[(3-cyanophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379524
2-[(pyridin-3-ylsulfonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66379320
N-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]methyl]-1-methyl-2,3-dihydroindole-6-sulfonamide
CID 167967205
2-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380496
2-hydroxy-5-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid
CID 61044195
2-chloro-4-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid
CID 107089983
2-[[(2-chloro-4-fluorophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379522
4-chloro-2-[(1-methyl-2,3-dihydroindol-6-yl)sulfonylamino]pent-4-enoic acid
CID 139021047
2-[2-(benzenesulfonamido)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374307
2-[[(2-cyanophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379328
2-[(cyclopropylsulfamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 114533520

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-methyl-2,3-dihydroindol-6-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[(1-methyl-2,3-dihydroindol-6-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid (CID 146128106) is 2-[[(1-methyl-2,3-dihydroindol-6-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[(1-methyl-2,3-dihydroindol-6-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[(1-methyl-2,3-dihydroindol-6-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid is CN1CCc2ccc(S(=O)(=O)NCc3nc(C(=O)O)cs3)cc21.
What is the InChIKey of 2-[[(1-methyl-2,3-dihydroindol-6-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is IWIWNIDYYHUVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4S2/c1-17-5-4-9-2-3-10(6-12(9)17)23(20,21)15-7-13-16-11(8-22-13)14(18)19/h2-3,6,8,15H,4-5,7H2,1H3,(H,18,19).
What are the key properties of 2-[[(1-methyl-2,3-dihydroindol-6-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid?
2-[[(1-methyl-2,3-dihydroindol-6-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 353.43 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-methyl-2,3-dihydroindol-6-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 146128106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).