N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide

C18H15N5O3S2 — CID 1108283

IUPACN-(5-methyl-1,2-oxazol-3-yl)-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(Nc3nc(-c4cccnc4)cs3)cc2)no1
InChIInChI=1S/C18H15N5O3S2/c1-12-9-17(22-26-12)23-28(24,25)15-6-4-14(5-7-15)20-18-21-16(11-27-18)13-3-2-8-19-10-13/h2-11H,1H3,(H,20,21)(H,22,23)
InChIKeyBNDOKYSEWQBFRN-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.05
Rot. Bonds6

About N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide

N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide (PubChem CID 1108283) has the molecular formula C18H15N5O3S2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide
PubChem CID1108283
Molecular FormulaC18H15N5O3S2
Molecular Weight413.48 g/mol
Exact Mass413.06
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(Nc3nc(-c4cccnc4)cs3)cc2)no1
InChIInChI=1S/C18H15N5O3S2/c1-12-9-17(22-26-12)23-28(24,25)15-6-4-14(5-7-15)20-18-21-16(11-27-18)13-3-2-8-19-10-13/h2-11H,1H3,(H,20,21)(H,22,23)
InChIKeyBNDOKYSEWQBFRN-UHFFFAOYSA-N
XLogP4.05
TPSA110.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide (CID 1108283) is N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(Nc3nc(-c4cccnc4)cs3)cc2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide?
The InChIKey is BNDOKYSEWQBFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3S2/c1-12-9-17(22-26-12)23-28(24,25)15-6-4-14(5-7-15)20-18-21-16(11-27-18)13-3-2-8-19-10-13/h2-11H,1H3,(H,20,21)(H,22,23).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide?
N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide has a molecular weight of 413.48 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 1108283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).