1-(1,3-benzothiazol-2-yl)-3-(2-sulfamoylphenyl)urea

C14H12N4O3S2 — CID 165368097

IUPAC1-(1,3-benzothiazol-2-yl)-3-(2-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccccc1NC(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C14H12N4O3S2/c15-23(20,21)12-8-4-2-6-10(12)16-13(19)18-14-17-9-5-1-3-7-11(9)22-14/h1-8H,(H2,15,20,21)(H2,16,17,18,19)
InChIKeyGZRBNBMVMKRASJ-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.59
Rot. Bonds3

About 1-(1,3-benzothiazol-2-yl)-3-(2-sulfamoylphenyl)urea

1-(1,3-benzothiazol-2-yl)-3-(2-sulfamoylphenyl)urea (PubChem CID 165368097) has the molecular formula C14H12N4O3S2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-3-(2-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-3-(2-sulfamoylphenyl)urea
PubChem CID165368097
Molecular FormulaC14H12N4O3S2
Molecular Weight348.41 g/mol
Exact Mass348.04
IUPAC Name1-(1,3-benzothiazol-2-yl)-3-(2-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccccc1NC(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C14H12N4O3S2/c15-23(20,21)12-8-4-2-6-10(12)16-13(19)18-14-17-9-5-1-3-7-11(9)22-14/h1-8H,(H2,15,20,21)(H2,16,17,18,19)
InChIKeyGZRBNBMVMKRASJ-UHFFFAOYSA-N
XLogP2.59
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzothiazol-2-ylcarbamoylamino)benzoic acid
CID 165368088
1-(1,3-benzothiazol-2-yl)-3-[(4-sulfamoylphenyl)methyl]urea
CID 41364793
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
1-(1,3-benzothiazol-2-yl)-3-methylurea;molecular hydrogen
CID 143832534
1-(1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea
CID 110491805
N-(1,3-benzothiazol-2-yl)-2-hydrazinylbenzamide
CID 62236744
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
1-(1,3-benzothiazol-2-yl)-3-(4-ethylphenyl)urea
CID 46267438
1-(1,3-benzothiazol-2-yl)-3-(trideuteriomethyl)urea
CID 163322182
2-(1,3-benzothiazol-2-ylcarbamoylamino)-2-methylpropanoic acid
CID 61264574
N-(1,3-benzothiazol-2-yl)-2-hydroxy-2-methylpropanamide
CID 103429378
disodium;1-(1,3-benzothiazol-2-yl)-3-phosphonatourea
CID 44653892

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-(2-sulfamoylphenyl)urea?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-(2-sulfamoylphenyl)urea (CID 165368097) is 1-(1,3-benzothiazol-2-yl)-3-(2-sulfamoylphenyl)urea.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-3-(2-sulfamoylphenyl)urea?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-3-(2-sulfamoylphenyl)urea is NS(=O)(=O)c1ccccc1NC(=O)Nc1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-3-(2-sulfamoylphenyl)urea?
The InChIKey is GZRBNBMVMKRASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3S2/c15-23(20,21)12-8-4-2-6-10(12)16-13(19)18-14-17-9-5-1-3-7-11(9)22-14/h1-8H,(H2,15,20,21)(H2,16,17,18,19).
What are the key properties of 1-(1,3-benzothiazol-2-yl)-3-(2-sulfamoylphenyl)urea?
1-(1,3-benzothiazol-2-yl)-3-(2-sulfamoylphenyl)urea has a molecular weight of 348.41 g/mol, XLogP of 2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-3-(2-sulfamoylphenyl)urea is sourced from PubChem (CID 165368097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).