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

C24H25N5O2S2 — CID 4310580

IUPACN-(4,6-dimethylpyrimidin-2-yl)-4-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3nc(-c4ccc(C(C)C)cc4)cs3)cc2)n1
InChIInChI=1S/C24H25N5O2S2/c1-15(2)18-5-7-19(8-6-18)22-14-32-24(28-22)27-20-9-11-21(12-10-20)33(30,31)29-23-25-16(3)13-17(4)26-23/h5-15H,1-4H3,(H,27,28)(H,25,26,29)
InChIKeyFPTFXAIGPHUIBV-UHFFFAOYSA-N
MW479.63 g/mol
LogP5.88
Rot. Bonds7

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

N-(4,6-dimethylpyrimidin-2-yl)-4-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide (PubChem CID 4310580) has the molecular formula C24H25N5O2S2 and a molecular weight of 479.63 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-4-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-4-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
PubChem CID4310580
Molecular FormulaC24H25N5O2S2
Molecular Weight479.63 g/mol
Exact Mass479.14
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-4-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3nc(-c4ccc(C(C)C)cc4)cs3)cc2)n1
InChIInChI=1S/C24H25N5O2S2/c1-15(2)18-5-7-19(8-6-18)22-14-32-24(28-22)27-20-9-11-21(12-10-20)33(30,31)29-23-25-16(3)13-17(4)26-23/h5-15H,1-4H3,(H,27,28)(H,25,26,29)
InChIKeyFPTFXAIGPHUIBV-UHFFFAOYSA-N
XLogP5.88
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.63
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-4-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-4-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide (CID 4310580) is N-(4,6-dimethylpyrimidin-2-yl)-4-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-4-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-4-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3nc(-c4ccc(C(C)C)cc4)cs3)cc2)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-4-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The InChIKey is FPTFXAIGPHUIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S2/c1-15(2)18-5-7-19(8-6-18)22-14-32-24(28-22)27-20-9-11-21(12-10-20)33(30,31)29-23-25-16(3)13-17(4)26-23/h5-15H,1-4H3,(H,27,28)(H,25,26,29).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-4-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
N-(4,6-dimethylpyrimidin-2-yl)-4-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide has a molecular weight of 479.63 g/mol, XLogP of 5.88, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-4-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 4310580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).