N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1,1-dioxo-1,2-benzothiazol-3-amine

C16H10BrN3O2S2 — CID 21230089

IUPACN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1,1-dioxo-1,2-benzothiazol-3-amine
SMILESO=S1(=O)N=C(Nc2nc(-c3ccc(Br)cc3)cs2)c2ccccc21
InChIInChI=1S/C16H10BrN3O2S2/c17-11-7-5-10(6-8-11)13-9-23-16(18-13)19-15-12-3-1-2-4-14(12)24(21,22)20-15/h1-9H,(H,18,19,20)
InChIKeyGPXFZMKZXYRGDI-UHFFFAOYSA-N
MW420.31 g/mol
LogP4.13
Rot. Bonds2

About N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1,1-dioxo-1,2-benzothiazol-3-amine

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1,1-dioxo-1,2-benzothiazol-3-amine (PubChem CID 21230089) has the molecular formula C16H10BrN3O2S2 and a molecular weight of 420.31 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1,1-dioxo-1,2-benzothiazol-3-amine.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1,1-dioxo-1,2-benzothiazol-3-amine
PubChem CID21230089
Molecular FormulaC16H10BrN3O2S2
Molecular Weight420.31 g/mol
Exact Mass418.94
IUPAC NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1,1-dioxo-1,2-benzothiazol-3-amine
SMILESO=S1(=O)N=C(Nc2nc(-c3ccc(Br)cc3)cs2)c2ccccc21
InChIInChI=1S/C16H10BrN3O2S2/c17-11-7-5-10(6-8-11)13-9-23-16(18-13)19-15-12-3-1-2-4-14(12)24(21,22)20-15/h1-9H,(H,18,19,20)
InChIKeyGPXFZMKZXYRGDI-UHFFFAOYSA-N
XLogP4.13
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.31
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1,1-dioxo-1,2-benzothiazol-3-amine with MolForge

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Related Compounds

(2R)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(1,1-dioxo-1,2-benzothiazol-3-yl)acetonitrile
CID 92966959
N-(4-bromophenyl)-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 3551547
[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazine;hydrochloride
CID 90481496
4-(4-bromophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine
CID 1211245
4-(4-bromophenyl)-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine
CID 151197403
N-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84564814
bis((2Z)-2-[[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]methylidene]naphthalen-1-one);nickel
CID 11578789
2-[(4-phenyl-1,3-thiazol-2-yl)amino]isoindole-1,3-dione
CID 1497763
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]isoindole-1,3-dione
CID 3520878
4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 988802
4-[4-[(4-bromophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazol-2-amine
CID 3100458
1-benzhydryl-3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]urea
CID 121082218

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1,1-dioxo-1,2-benzothiazol-3-amine?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1,1-dioxo-1,2-benzothiazol-3-amine (CID 21230089) is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1,1-dioxo-1,2-benzothiazol-3-amine.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1,1-dioxo-1,2-benzothiazol-3-amine?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1,1-dioxo-1,2-benzothiazol-3-amine is O=S1(=O)N=C(Nc2nc(-c3ccc(Br)cc3)cs2)c2ccccc21.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1,1-dioxo-1,2-benzothiazol-3-amine?
The InChIKey is GPXFZMKZXYRGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN3O2S2/c17-11-7-5-10(6-8-11)13-9-23-16(18-13)19-15-12-3-1-2-4-14(12)24(21,22)20-15/h1-9H,(H,18,19,20).
What are the key properties of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1,1-dioxo-1,2-benzothiazol-3-amine?
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1,1-dioxo-1,2-benzothiazol-3-amine has a molecular weight of 420.31 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1,1-dioxo-1,2-benzothiazol-3-amine is sourced from PubChem (CID 21230089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).