N-(5-bromo-1,3-thiazol-2-yl)-5-(2-methoxyethyl)-4-methyl-2-sulfamoylthiophene-3-carboxamide

C12H14BrN3O4S3 — CID 87181196

IUPACN-(5-bromo-1,3-thiazol-2-yl)-5-(2-methoxyethyl)-4-methyl-2-sulfamoylthiophene-3-carboxamide
SMILESCOCCc1sc(S(N)(=O)=O)c(C(=O)Nc2ncc(Br)s2)c1C
InChIInChI=1S/C12H14BrN3O4S3/c1-6-7(3-4-20-2)21-11(23(14,18)19)9(6)10(17)16-12-15-5-8(13)22-12/h5H,3-4H2,1-2H3,(H2,14,18,19)(H,15,16,17)
InChIKeyTUHYSYGPFNPKNT-UHFFFAOYSA-N
MW440.37 g/mol
LogP2.36
Rot. Bonds6

About N-(5-bromo-1,3-thiazol-2-yl)-5-(2-methoxyethyl)-4-methyl-2-sulfamoylthiophene-3-carboxamide

N-(5-bromo-1,3-thiazol-2-yl)-5-(2-methoxyethyl)-4-methyl-2-sulfamoylthiophene-3-carboxamide (PubChem CID 87181196) has the molecular formula C12H14BrN3O4S3 and a molecular weight of 440.37 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-5-(2-methoxyethyl)-4-methyl-2-sulfamoylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-5-(2-methoxyethyl)-4-methyl-2-sulfamoylthiophene-3-carboxamide
PubChem CID87181196
Molecular FormulaC12H14BrN3O4S3
Molecular Weight440.37 g/mol
Exact Mass438.93
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-5-(2-methoxyethyl)-4-methyl-2-sulfamoylthiophene-3-carboxamide
SMILESCOCCc1sc(S(N)(=O)=O)c(C(=O)Nc2ncc(Br)s2)c1C
InChIInChI=1S/C12H14BrN3O4S3/c1-6-7(3-4-20-2)21-11(23(14,18)19)9(6)10(17)16-12-15-5-8(13)22-12/h5H,3-4H2,1-2H3,(H2,14,18,19)(H,15,16,17)
InChIKeyTUHYSYGPFNPKNT-UHFFFAOYSA-N
XLogP2.36
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.37
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-5-(2-methoxyethyl)-4-methyl-2-sulfamoylthiophene-3-carboxamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-5-(2-methoxyethyl)-4-methyl-2-sulfamoylthiophene-3-carboxamide (CID 87181196) is N-(5-bromo-1,3-thiazol-2-yl)-5-(2-methoxyethyl)-4-methyl-2-sulfamoylthiophene-3-carboxamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-5-(2-methoxyethyl)-4-methyl-2-sulfamoylthiophene-3-carboxamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-5-(2-methoxyethyl)-4-methyl-2-sulfamoylthiophene-3-carboxamide is COCCc1sc(S(N)(=O)=O)c(C(=O)Nc2ncc(Br)s2)c1C.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-5-(2-methoxyethyl)-4-methyl-2-sulfamoylthiophene-3-carboxamide?
The InChIKey is TUHYSYGPFNPKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O4S3/c1-6-7(3-4-20-2)21-11(23(14,18)19)9(6)10(17)16-12-15-5-8(13)22-12/h5H,3-4H2,1-2H3,(H2,14,18,19)(H,15,16,17).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-5-(2-methoxyethyl)-4-methyl-2-sulfamoylthiophene-3-carboxamide?
N-(5-bromo-1,3-thiazol-2-yl)-5-(2-methoxyethyl)-4-methyl-2-sulfamoylthiophene-3-carboxamide has a molecular weight of 440.37 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-5-(2-methoxyethyl)-4-methyl-2-sulfamoylthiophene-3-carboxamide is sourced from PubChem (CID 87181196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).