3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide

C20H17N5O4S2 — CID 70789446

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1cnccc1C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H17N5O4S2/c1-12-18(13(2)29-24-12)31(27,28)25-16-10-21-9-8-15(16)19(26)23-20-22-17(11-30-20)14-6-4-3-5-7-14/h3-11,25H,1-2H3,(H,22,23,26)
InChIKeyXLHAYAHOLZONMZ-UHFFFAOYSA-N
MW455.52 g/mol
LogP3.86
Rot. Bonds6

About 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide

3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide (PubChem CID 70789446) has the molecular formula C20H17N5O4S2 and a molecular weight of 455.52 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
PubChem CID70789446
Molecular FormulaC20H17N5O4S2
Molecular Weight455.52 g/mol
Exact Mass455.07
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1cnccc1C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H17N5O4S2/c1-12-18(13(2)29-24-12)31(27,28)25-16-10-21-9-8-15(16)19(26)23-20-22-17(11-30-20)14-6-4-3-5-7-14/h3-11,25H,1-2H3,(H,22,23,26)
InChIKeyXLHAYAHOLZONMZ-UHFFFAOYSA-N
XLogP3.86
TPSA127.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide (CID 70789446) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide is Cc1noc(C)c1S(=O)(=O)Nc1cnccc1C(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide?
The InChIKey is XLHAYAHOLZONMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O4S2/c1-12-18(13(2)29-24-12)31(27,28)25-16-10-21-9-8-15(16)19(26)23-20-22-17(11-30-20)14-6-4-3-5-7-14/h3-11,25H,1-2H3,(H,22,23,26).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide has a molecular weight of 455.52 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 70789446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).