4-[[4-amino-5-(3-aminobenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide

C16H15N5O3S2 — CID 66553071

IUPAC4-[[4-amino-5-(3-aminobenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESNc1cccc(C(=O)c2sc(Nc3ccc(S(N)(=O)=O)cc3)nc2N)c1
InChIInChI=1S/C16H15N5O3S2/c17-10-3-1-2-9(8-10)13(22)14-15(18)21-16(25-14)20-11-4-6-12(7-5-11)26(19,23)24/h1-8H,17-18H2,(H,20,21)(H2,19,23,24)
InChIKeyXNRIWHPUEZHUFJ-UHFFFAOYSA-N
MW389.46 g/mol
LogP1.93
Rot. Bonds5

About 4-[[4-amino-5-(3-aminobenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide

4-[[4-amino-5-(3-aminobenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide (PubChem CID 66553071) has the molecular formula C16H15N5O3S2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-[[4-amino-5-(3-aminobenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-amino-5-(3-aminobenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
PubChem CID66553071
Molecular FormulaC16H15N5O3S2
Molecular Weight389.46 g/mol
Exact Mass389.06
IUPAC Name4-[[4-amino-5-(3-aminobenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESNc1cccc(C(=O)c2sc(Nc3ccc(S(N)(=O)=O)cc3)nc2N)c1
InChIInChI=1S/C16H15N5O3S2/c17-10-3-1-2-9(8-10)13(22)14-15(18)21-16(25-14)20-11-4-6-12(7-5-11)26(19,23)24/h1-8H,17-18H2,(H,20,21)(H2,19,23,24)
InChIKeyXNRIWHPUEZHUFJ-UHFFFAOYSA-N
XLogP1.93
TPSA154.19 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[4-Amino-2-(Phenylamino)-1,3-Thiazol-5-Yl](Phenyl)methanone
CID 936046
4-{[4-Amino-5-(Pyridin-3-Ylcarbonyl)-1,3-Thiazol-2-Yl]amino}benzenesulfonamide
CID 66553052
{4-Amino-2-[(3-fluorophenyl)amino]-1,3-thiazol-5-yl}(phenyl)methanone
CID 1504410
(2-Anilino-4-methyl-1,3-thiazol-5-yl)-phenylmethanone
CID 2814150
4-{[4-Amino-5-(4-Sulfamoylbenzoyl)-1,3-Thiazol-2-Yl]amino}benzenesulfonamide
CID 66553048
4-{[4-Amino-5-(3-Fluorobenzoyl)-1,3-Thiazol-2-Yl]amino}benzenesulfonamide
CID 66553051
4-{[4-Amino-5-(2-Nitrobenzoyl)-1,3-Thiazol-2-Yl]amino}benzenesulfonamide
CID 66553053
4-{[4-Amino-5-(3-Nitrobenzoyl)-1,3-Thiazol-2-Yl]amino}benzenesulfonamide
CID 73347325
4-[(4-Amino-5-Benzoyl-1,3-Thiazol-2-Yl)amino]benzenesulfonamide
CID 73354900
[4-Amino-2-(2-fluoroanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 931219
[4-Amino-2-(4-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 13616280
4-{[4-Amino-5-(Naphthalen-2-Ylcarbonyl)-1,3-Thiazol-2-Yl]amino}benzenesulfonamide
CID 66553068

Frequently Asked Questions

What is the IUPAC name of 4-[[4-amino-5-(3-aminobenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-amino-5-(3-aminobenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide (CID 66553071) is 4-[[4-amino-5-(3-aminobenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-amino-5-(3-aminobenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-amino-5-(3-aminobenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide is Nc1cccc(C(=O)c2sc(Nc3ccc(S(N)(=O)=O)cc3)nc2N)c1.
What is the InChIKey of 4-[[4-amino-5-(3-aminobenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The InChIKey is XNRIWHPUEZHUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3S2/c17-10-3-1-2-9(8-10)13(22)14-15(18)21-16(25-14)20-11-4-6-12(7-5-11)26(19,23)24/h1-8H,17-18H2,(H,20,21)(H2,19,23,24).
What are the key properties of 4-[[4-amino-5-(3-aminobenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
4-[[4-amino-5-(3-aminobenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide has a molecular weight of 389.46 g/mol, XLogP of 1.93, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-amino-5-(3-aminobenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 66553071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).