N-[5-[(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide

C13H15N5O5S3 — CID 119101378

IUPACN-[5-[(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(S(=O)(=O)Nc2ccc3c(c2)N(C)S(=O)(=O)N3C)s1
InChIInChI=1S/C13H15N5O5S3/c1-8(19)15-13-14-7-12(24-13)25(20,21)16-9-4-5-10-11(6-9)18(3)26(22,23)17(10)2/h4-7,16H,1-3H3,(H,14,15,19)
InChIKeyQGQSGAASFRYJRR-UHFFFAOYSA-N
MW417.49 g/mol
LogP1.03
Rot. Bonds4

About N-[5-[(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide

N-[5-[(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 119101378) has the molecular formula C13H15N5O5S3 and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[5-[(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide
PubChem CID119101378
Molecular FormulaC13H15N5O5S3
Molecular Weight417.49 g/mol
Exact Mass417.02
IUPAC NameN-[5-[(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(S(=O)(=O)Nc2ccc3c(c2)N(C)S(=O)(=O)N3C)s1
InChIInChI=1S/C13H15N5O5S3/c1-8(19)15-13-14-7-12(24-13)25(20,21)16-9-4-5-10-11(6-9)18(3)26(22,23)17(10)2/h4-7,16H,1-3H3,(H,14,15,19)
InChIKeyQGQSGAASFRYJRR-UHFFFAOYSA-N
XLogP1.03
TPSA128.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide
CID 122322136
N-[5-[[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide
CID 122291516
2-acetamido-1,3-thiazole-5-sulfonic acid;hydrochloride
CID 174821930
N-[5-[(2,4-dimethoxyphenyl)sulfamoyl]-1,3-thiazol-2-yl]acetamide
CID 39861071
N-[5-[[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide
CID 122309910
N-[5-[[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide
CID 122297526
N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)cyclopropanesulfonamide
CID 119101374
N-[5-(cyclopropylsulfamoyl)-1,3-thiazol-2-yl]acetamide
CID 90480612
N-[5-(benzenesulfonamido)-1,3-thiazol-2-yl]acetamide
CID 71326100
methyl N-[3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]carbamate
CID 61042286
N-[5-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methylsulfamoyl]-1,3-thiazol-2-yl]acetamide
CID 122252853
N-[5-[[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]sulfamoyl]-1,3-thiazol-2-yl]acetamide
CID 124760322

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide (CID 119101378) is N-[5-[(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(S(=O)(=O)Nc2ccc3c(c2)N(C)S(=O)(=O)N3C)s1.
What is the InChIKey of N-[5-[(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is QGQSGAASFRYJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O5S3/c1-8(19)15-13-14-7-12(24-13)25(20,21)16-9-4-5-10-11(6-9)18(3)26(22,23)17(10)2/h4-7,16H,1-3H3,(H,14,15,19).
What are the key properties of N-[5-[(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 417.49 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 119101378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).