N-(4,6-dimethylpyrimidin-2-yl)-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide

C19H17N5O2S3 — CID 3128431

IUPACN-(4,6-dimethylpyrimidin-2-yl)-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3nc(-c4cccs4)cs3)cc2)n1
InChIInChI=1S/C19H17N5O2S3/c1-12-10-13(2)21-18(20-12)24-29(25,26)15-7-5-14(6-8-15)22-19-23-16(11-28-19)17-4-3-9-27-17/h3-11H,1-2H3,(H,22,23)(H,20,21,24)
InChIKeyIEBWATVMTCVGCU-UHFFFAOYSA-N
MW443.58 g/mol
LogP4.82
Rot. Bonds6

About N-(4,6-dimethylpyrimidin-2-yl)-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide

N-(4,6-dimethylpyrimidin-2-yl)-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide (PubChem CID 3128431) has the molecular formula C19H17N5O2S3 and a molecular weight of 443.58 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide
PubChem CID3128431
Molecular FormulaC19H17N5O2S3
Molecular Weight443.58 g/mol
Exact Mass443.05
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3nc(-c4cccs4)cs3)cc2)n1
InChIInChI=1S/C19H17N5O2S3/c1-12-10-13(2)21-18(20-12)24-29(25,26)15-7-5-14(6-8-15)22-19-23-16(11-28-19)17-4-3-9-27-17/h3-11H,1-2H3,(H,22,23)(H,20,21,24)
InChIKeyIEBWATVMTCVGCU-UHFFFAOYSA-N
XLogP4.82
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.58
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide (CID 3128431) is N-(4,6-dimethylpyrimidin-2-yl)-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3nc(-c4cccs4)cs3)cc2)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide?
The InChIKey is IEBWATVMTCVGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S3/c1-12-10-13(2)21-18(20-12)24-29(25,26)15-7-5-14(6-8-15)22-19-23-16(11-28-19)17-4-3-9-27-17/h3-11H,1-2H3,(H,22,23)(H,20,21,24).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide?
N-(4,6-dimethylpyrimidin-2-yl)-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide has a molecular weight of 443.58 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 3128431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).